Publications | ShustovaGroup

122. A Change of Pace: Record Photoresponse through Spirooxazine Confinement in a Metal-Organic Matrix

Thaggard, G. C.; Wilson, G. R.; Naik, M.; Quetel, M. A.; Lim, J.; Maldeni Kankanamalage, B. K. P.; Smith, M. D.; Shustova, N. B.

J. Am. Chem. Soc. 2024, 146, 31746–31756.

121. Catalytically Active Site Mapping Realized through Energy Transfer Modeling

Maldeni Kankanamalage, B. K. P.; Thompson, W. J.; Thaggard, G. C.; Park, K. C.; Martin, C. R.; Niu, J.; Byers, J.A.; Shustova, N. B.

Angew. Chem. Int. Ed. 2024, e202416695.

120. Switching from Molecules to Functional Materials: Breakthroughs in Photochromism with MOFs

Thaggard, G. C.; Maldeni Kankanamalage, B. K. P.; Park, K. C.; Lim, J.; Quetel, M. A.; Naik, M.; Shustova, N. B.

Adv. Mater. 2024, 2410067.

119. Mining for Metal-Organic Systems: Chemistry Frontiers of Th-, U-, and Zr-Materials

Park, K. C.; Lim, J.; Thaggard, G. C.; Shustova, N. B.

J. Am. Chem. Soc. 2024, 146, 18189–18204.

118. Friends or Foes: Fundamental Principles of Th-Organic Scaffold Chemistry Using Zr-analogs as a Guide

Lim, J.; Park, K. C.; Thaggard, G. C.; Liu, Y.; Maldeni Kankanamalage, B. K. P.; Toler, D. J.; Ta, A. T.; Kittikhunnatham, P.; Smith, M. D.; Phillpot, S. R.; Shustova, N. B.

J. Am. Chem. Soc. 2024, 146, 12155–12166.

117. Photochromic Ln-MOFs: A Platform for Metal-Photoswitch Cooperativity

Martin, C. R.; Thaggard, G. C.; Lehman-Andino, I.; Mollinedo, E.; Rai, B. K.; Page, M. A.; Taylor-Pashow, K.; Shustova, N. B.

Inorg. Chem. 2024, 63, 12810–12817.

116. Switching in Harmony: Tailoring the Properties of Functional Materials with Orthogonal Stimuli

Thaggard, G. C.; Maldeni Kankanamalage, B. K. P.; Park, K. C.; Haimerl, J.; Fischer, R. A.; Shustova, N. B.

Chem. Phys. Rev., 2024, 5, 011305.

Selected as a Featured Article

Selected for the Cover

115. Anthracene-based Energy Storage

Shustova, N. B.

Joule. 2024, 8, 2957–2959.

114. Breaking the Photoswitch Speed Limit

Thaggard, G. C.; Park, K. C.; Lim, J.; Maldeni Kankanamalage, B. K. P.; Haimerl, J.; Wilson, G. R.; McBride, M. K.; Forrester, K. L.; Adelson, E. R.; Arnold, V. S.; Wetthasinghe, S. T.; Rassolov, V. A.; Smith, M. D.; Sosnin, D.; Aprahamian, I.; Karmakar, M.; Bag, S. K.; Thakur, A.; Zhang, M.; Tang, B. Z.; Castaño, J. A.; Chaur, M. N.; Lerch, M. M.; Fischer, R. A.; Aizenberg, J.; Herges, R.; Lehn, J.-M.; Shustova, N. B.

Nat. Commun. 2023, 14, 7556.

113. Cooperative and Orthogonal Switching in the Solid State Enabled by Metal-Organic Framework Confinement Leading to a Thermo-Photochromic Platform

Wilson, G. R.; Park, K. C.; Thaggard, G. C.; Martin, C. R.; Hill, A. R.; Haimerl, J.; Lim, J.; Maldeni Kankanamalage, B. K. P.; Yarbrough, B.; Forrester, K. L.; Fischer, R. A.; Pellechia, P. J.; Smith, M. D.; Garashchuk, S.; Shustova, N. B.

Angew. Chem. Int. Ed. 2023, 62, e202308715.

112. Traffic Lights for Catalysis: Stimuli-Responsive Molecular and Extended Catalytic Systems

Thaggard, G. C.; Haimerl, J.; Fischer, R. A.; Park, K. C.; Shustova, N. B.

Angew. Chem. Int. Ed. 2023, 62, e202302859.

111. Metal-Photoswitch Friendship: From Photochromic Complexes to Functional Materials

Thaggard, G. C.; Haimerl, J.; Park, K. C.; Lim, J.; Fischer, R. A.; Maldeni Kankanamalage, B. K. P.; Yarbrough, B. J.; Wilson, G. R.; Shustova, N. B.

J. Am. Chem. Soc. 2022, 144, 23249–23263.

110. The Highly Operational Team (HOT) toward f-block Materials

Park, K. C.; Kittikhunnatham, P.; Lim, J.; Thaggard, G. C.; Liu, Y.; Martin, C. R.; Leith, G. A.; Toler, D. J.; Ta, A. T.; Birkner, N.; Lehman-Andino, I.; Hernandez-Jimenez, A.; Morrison, G.; Amoroso, J. W.; zur Loye, H.-C.; DiPrete, D. P.; Smith, M. D.; Brinkman, K. S.; Phillpot, S. R.; Shustova, N. B.

Angew. Chem. Int. Ed. 2023, 62, e202307093.

109. f-block MOFs: A Pathway to Heterometallic Transuranics

Angew. Chem. Int. Ed. 2023, 62, e202216349.

108. Confinement-Driven Photophysics in Hydrazone-based Hierarchical Materials

Thaggard, G. C.; Leith, G. A.; Sosnin, D.; Martin, C. R.; Park, K. C.; McBride, M. K.; Lim, J.; Yarbrough, B. J.; Maldeni Kankanamalage, B. K. P.; Wilson, G. R.; Hill, A. R.; Smith, M. D.; Garashchuk, S.; Greytak, A. B.; Aprahamian, I.; Shustova, N. B.

Angew. Chem. Int. Ed. 2023, 62, e202211776.

107. Thermal Conductivity of Covalent Organic Frameworks

Kwon, J.; Ma, H.; Giri, A.; Hopkins, P.; Shustova, N. B.; Tian, Z.

ACS Nano 2023, 17, 15222–15230.

106. Selective Synthesis using ETFBO: A New Strategy for the Preparation of Hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

Faillace, M. S.; Ceballos, N. M.; Shustova, N. B.; Peláez, W. J.

Asian J. Org. Chem. 2023, e202300318.

105. Binding of Uranyl Cations to a Zr-based Metal-Organic Framework by Density Functional Theory

Liu, Y.; Ta, A. T.; Pandey, S.; Park, K. C.; Hu, S.; Shustova, N. B.; Phillpot, S. R.

Comput. Mat. Sci. 2023, 230, 112528.

104. Capture Instead of Release: Defect-Modulated Radionuclide Leaching Kinetics in Metal-Organic Frameworks

Park, K. C.; Martin, C. R.; Leith, G. A.; Thaggard, G. C.; Wilson, G. R.; Yarbrough, B. J.; Maldeni Kankanamalage, B. K. P.; Kittikhunnatham, P.; Mathur, A.; Jatoi, I.; Manzi, M. A.; Lim, J.; Lehman-Andino, I.; Hernandez-Jimenez, A.; Amoroso, J. W.; DiPrete, D. P.; Liu, Y.; Schaeperkoetter, J.; Misture, S. T.; Phillpot, S. R.; Hu, S.; Li, Y.; Leydier, A.; Proust, V.; Grandjean, A.; Smith, M. D.; Shustova, N. B.

J. Am. Chem. Soc. 2022, 144, 16139–16149.

103. Stimuli-Modulated Metal Oxidation States in Photochromic MOFs

Martin, C. R.; Park, K. C.; Leith, G. A.; Yu, J.; Mathur, A.; Wilson, G. R.; Gange, G. B.; Barth, E. L.; Ly, R. T.; Manley, O. M.; Forrester, K. L.; Karakalos, S. G.; Smith, M. D.; Makris, T. M.; Vannucci, A. K.; Peryshkov, D. V.; Shustova, N. B.

J. Am. Chem. Soc. 2022, 144, 4457–4468.

Faillace, M. S.; Dolgopolova, E. A.; Ceballos, N. M.; Ruiz Pereyra, E. N.; Lanfri, L.; Argüello, G. A.; Paci, M. B.; Shustova, N. B.; Peláez, W. J.

Phys. Chem. Chem. Phys. 2023, 25, 17943–17951.

101. Merging Molecular Catalysts and Metal-Organic Frameworks for Photocatalytic Fuel Production

Stanley, P. M.; Haimerl, J.; Shustova, N. B.; Fischer, R. A.; Warnan, J.

Nat. Chem. 2022, 14, 1342–1356.

100. Keeping COFs in the Loop

Leith, G. A.; Shustova, N. B.

Nat. Chem. 2022, 14, 485–486.

99. Playing “Jenga” with MOFs: De-interpenetration for Pore Opening

Leith, G. A.; Martin, C. R.; Park, K. C.; Shustova, N. B.

Chem. 2022, 8, 325–326.

98. A MOF Multifunctional Cargo Vehicle for Reactive-Gas Delivery and Catalysis

Kittikhunnatham, P.; Leith, G. A.; Mathur, A.; Naglic, J. K.; Martin, C. R.; Park, K. C.; McCullough, K.; Jayaweera, C. H. D. A.; Corkill, R. E.; Lauterbach, J.; Karakalos, S. G.; Smith, M. D.; Garahschuk, S.; Chen, D. A.; Shustova, N. B.

Angew. Chem. Int. Ed. 2022, 61, e202113909.

97. Mechanistic Investigations of Gas-Phase Catalytic Hydrogenation in Metal-Organic Frameworks: Cooperative Activity of the Metal and Linker Sites in CuxRh3−x(BTC)2

Chen, D. A.; Jimenez, J. D.; Senanayake, S. D.; Stetzler, J. P.; Shakya, D. M.; Mcarver, G. A.; Rajeshkumar, T.; Vogiatzis, K. D.; Mathur, A.; Shustova, N. B.; Myrick, M. L.; Metavarayuth, K.; Royko, M. M.; Lauterbach, J.; Tate, G. L.; Monnier, J. R.

J. Phys. Chem. C. 2022, 126, 11553–11565.

96. Leaching Model of Radionuclides in Metal-Organic Framework Particles

Li, Y.; Hu, S.; Hilty, F. W.; Montgomery, R.; Park, K. C.; Martin, C. R.; Shustova, N. B.; Liu, Y.; Phillpot, S. R.

Comput. Mater. Sci. 2022, 201, 110886.

95. Graphitic Supramolecular Architectures Based On Corannulene, Fullerene, and Beyond

Leith, G. A.; Shustova, N. B.

(Invited) Chem. Comm. 2021, 57, 10125–10138.

94. Host-Guest Interactions in Metal-Organic Framework Isoreticular Series for Molecular Photocatalytic CO2 Reduction

Stanley, P. M.; Haimerl, J.; Thomas, C.; Urstoeger, A.; Schuster, M.; Shustova, N. B.; Casini, A.; Rieger, B.; Warnan, J.; Fischer, R. A.

Angew. Chem. Int. Ed. 2021, 60, 17854–17860.

93. Beyond Structural Motifs: The Frontier of Actinide-Containing Metal-Organic Frameworks

Martin, C. R.; Leith, G. A.; Shustova, N. B.

(Invited) Chem. Sci. 2021, 12, 7214–7230.

92. Dynamically-Controlled Electronic Behavior of Stimuli-Responsive Materials: Exploring Dimensionality and Connectivity

Leith, G. A.; Martin, C. R.; Mathur, A.; Kittikhunnatham, P.; Park, K. C.; Shustova, N. B.

Adv. Energy Mater. 2022, 12, 2100441.

Special Issue: "Dimensionality, Emerging Materials, and Energy"

91. Photoresponsive Frameworks: Energy Transfer in the Spotlight

Martin, C. R.; Park, K. C.; Corkill, R. E.; Kittikhunnatham, P.; Leith, G. A.; Mathur, A.; Abiodun, S. L.; Greytak, A. B.; Shustova, N. B.

Faraday Discuss., 2021, 231, 266–280.

Invited contribution as a part of a Faraday Discussion Series: "MOFs for Energy and the Environment"

90. “Broken-Hearted” Carbon Bowl via Electron Shuttle Reaction: Energetics and Electron Coupling

Leith, G. A.; Rice, A. M.; Yarbrough, B. J.; Kittikhunnatham, P.; Mathur, A.; Morris, N. A.; Francis, M. J.; Berseneva, A. A.; Dhull, P.; Adams, R. D.; Bobo, M. V.; Vannucci, A. A.; Smith, M. D.; Garashchuk, S.; Shustova, N. B.

Chem. Sci. 2021, 12, 6600–6606.

89. Confinement-Guided Photophysics in MOFs, COFs, and Cages

Leith, G. A.; Martin, C. R.; Mayers, J. M., Kittikhunnatham, P.; Larsen, R. W.; Shustova, N. B.

Chem. Soc. Rev. 2021, 50, 4382–4410.

Part of the themed collection: "Nanoconfinement"

88. Heterometallic Actinide-Containing Photoresponsive Metal-Organic Frameworks: Dynamic and Static Tuning of Electronic Properties

Martin, C. R.; Leith, G. A.; Kittikhunnatham, P.; Park, K. C.; Ejegbavwo, O. A.; Mathur, A.; Callahan, C. R.; Desmond, S. L.; Keener, M. R.; Ahmed, F.; Pandey, S.; Smith, M. D.; Phillpot, S. R.; Greytak, A. B.; Shustova, N. B.

Angew. Chem. Int. Ed. 2021, 60, 8072–8080.

Article featured as a Frontispiece

Metal-Organic Frameworks: Special Collection 2020

87. Natalia Shustova Answers Questions about 15 years of Research on Covalent Organic Frameworks

Shustova, N. B.

Nat Commun. 2020, 11, 5329.

86. Let the Light be a Guide: Chromophore Communication in Metal-Organic Frameworks

Martin, C. R.; Kittikhunnatham, P.; Leith, G. A.; Berseneva, A. A.; Park, K. C.; Greytak, A. B.; Shustova, N. B.

Nano Res. 2020, 14, 338–354.

Nano Research Special Issue on Reticular Chemistry

85. Heterometallic Multinuclear Nodes Directing MOF Electronic Behavior

Ejegbavwo, O. A.; Berseneva, A. A.; Martin, C. R.; Leith, G. A.; Pandey, S.; Brandt, A. J.; Park, K. C.; Mathur, A.; Farzandh, S.; Klepov, V. V.; Heiser, B. J.; Chandrashekhar, M.; Karakalos, S. G.; Smith, M. D.; Phillpot, S. R.; Garashchuk, S.; Chen, D. A.; Shustova, N. B.

Chem. Sci. 2020, 11, 7379–7389.

84. Confinement-Driven Photophysics in Cages, COFs, MOFs, and DNA

Dolgopolova, E. A.; Berseneva, A. A.; Faillace, M. S.; Ejegbavwo, O. A.; Leith, G. A.; Choi, S. W.; Gregory, H. N.; Rice, A. M.; Smith, M. D.; Chruszcz, M.; Garashchuk, S.; Mythreye, K.; Shustova, N. B.

J. Am. Chem. Soc. 2020, 142, 4769–4783.

83. A Dual Threat: Redox-Activity and Electronic Structures of Well-Defined Donor-Acceptor Fulleretic Covalent-Organic Materials

Leith, G. A.; Rice, A. M.; Yarbrough, B. J.; Berseneva, A. A.; Ly, R. T.; Buck, C. N. III; Chusov, D.; Brandt, A. J.; Chen, D. A.; Lamm, B. W.; Stefik, M.; Stephenson, K. S.; Smith, M. D.; Vannucci, A. K.; Pellechia, P. J.; Garashchuk, S.; Shustova, N. B.

Angew. Chem. Int. Ed. 2020, 59, 6000–6006.

82. A Multivariate Toolbox for Donor–Acceptor Alignment: MOFs and COFs

Leith, G. A.; Berseneva, A. A.; Mathur, A.; Park, K. C.; Shustova, N. B.

Trends Chem. 2020, 2, 367–382.

Special Issue: First Anniversary – Laying Groundwork for the Future

81. Direct Identification of Mixed-Metal Centers in Metal-Organic Frameworks: Cu3(BTC)2 Transmetallated with Rh2+ Ions

Metavarayuth, K.; Ejegbavwo, O. A.; McCarver, G.; Myrick, M.; Makris, T.; Vogiatzis, K.; Senanayake, S.; Manley, O.; Ebrahim, A.; Frenkel, A.; Hwang, S.; Rajeshkumar, T.; Jimenez, J.; Chen, K.; Shustova, N. B.; Chen, D. A.

J. Phys. Chem. Lett. 2020, 11, 8138–8144.

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80. Growth of Crystalline Bimetallic Metal-Organic Framework Films via Transmetallation

Brandt, A. J.; Shakya, D.; Metavarayuth, K.; Dolgopolova, E.; Hensley, L.; Duke, A. S.; Farzandh, S.; Stefik, M.; Shustova, N. B.; Chen, D. A.

Langmuir 2020, 36, 9900–9908.

79. Anion-exchanged and Quaternary Ammonium Functionalized MIL-101-Cr Metal-Organic Framework (MOF) for ReO4−/TcO4− Sequestration from Groundwater

Li, D.; Shustova, N. B.; Martin, C. R.; Taylor-Pashow, K.; Seaman, J. C.; Kaplan, D. I.; Amoroso, J. W.; Chernikov, R.

J. Environ. Radioact. 2020, 222, 106372.

78. Electronic Structures and Magnetism of Zr-, Th-, and U-based Metal-Organic Frameworks (MOFs) by Density Functional Theory

Pandey, S.; Demaske, B.; Ejegbavwo, O. A.; Berseneva, A. A.; Setyawan, W.; Shustova, N. B.; Phillpot, S. R.

Comput. Mater. Sci 2020, 184, 109903.

77. “Boarding-up”: Radiation Damage and Radionuclide Leaching Kinetics in Linker-Capped Metal-Organic Frameworks

Berseneva, A. A.; Martin, C. R.; Galitskiy, V. A.; Ejegbavwo, O. A.; Leith, G. A.; Ly, R. T.; Rice, A. M.; Dolgopolova E. A.; Smith, M. D.; zur Loye, H.-C.; DiPrete, D. P.; Amoroso, J. W.; Shustova, N. B.

Inorg. Chem. 2020, 59, 179–183.

Highlighted in "Inorganic Chemistry Forum on "Innovative f-Element Chelating Strategies."

76. Photophysics Modulation in Photoswitchable Metal−Organic Frameworks

Rice, A. M.; Martin, C. R.; Galitskiy, V. A.; Berseneva, A. A.; Leith, G. A.; Shustova, N. B.

Chem. Rev. 2020, 120, 8790–8813.

75. Sequestration of Radionuclides in Metal−Organic Frameworks from Density Functional Theory Calculations

Pandey, S.; Jia, Z.; Demaske, B.; Ejegbavwo, O. A.; Setyawan, W.; Henager, C. H.; Shustova, N. B.; Phillpot, S. R.

J. Phys. Chem. C 2019, 123, 26842–26855.

74. Selective Catalytic Chemistry at Rhodium (II) Nodes in Bimetallic Metal-Organic Frameworks

Shakya, D. M.; Ejegbavwo, O. A.; Rajeshkumar, T.; Senanayake, S. D.; Brandt, A. J.; Farzandh, S.; Acharya, N.; Ebrahim, A. M.; Frenkel, A. I.; Rui, N.; Tate, G. L.; Monnier, J. R.; Vogiatzis, K. D.; Shustova, N. B.; Chen, D. A.

Angew. Chem. Int. Ed. 2019, 58, 16533–16537.

73. Thermodynamics and Electronic Properties of Heterometallic Multinuclear An-MOFs with “Structural Memory”

Ejegbavwo, O. A.; Martin, C. R.; Olorunfemi, O. A; Leith, G. A.; Ly, R. T.; Rice, A. M.; Dolgopolova, E. A.; Smith, M. D.; Karakalos, S. G.; Birkner, N.; Powell, B. A.; Pandey, S.; Koch, R. J.; Misture, S. T.; zur Loye, H.-C.; Phillpot, S. R.; Brinkman, K. S.; Shustova, N. B.

J. Am. Chem. Soc. 2019, 141, 11628–11640.

Article featured on the cover

72. Heterometallic Metal–Organic Frameworks (MOFs): The Advent of Improving the Energy Landscape

Rice, A. M.; Leith, G. A.; Ejegbavwo, O. A.; Dolgopolova, E. A.; Shustova, N. B.

ACS Energy Lett. 2019, 4, 1938–1946

Article featured on the cover

71. Connecting Wires: Photoinduced Electronic Structure Modulation in Metal-Organic Frameworks

Dolgopolova, E. A.; Galitskiy, V. A.; Martin, C. R.; Gregory, H. N.; Yarbrough, B. J.; Rice, A. M.; Berseneva, A. A.; Ejegbavwo, O. A; Stephenson, K. S.; Kittikhunnatham, P.; Karakalos, S. G.; Smith, M. D.; Greytak, A. B.; Garashchuk, S.; Shustova, N. B.

J. Am. Chem. Soc. 2019, 141, 5350–5358.

70. Stack the Bowls: Tailoring the Electronic Structure of Corannulene‐Integrated Crystalline Materials

Rice, A. M.; Dolgopolova, E. A.; Yarbrough, B. J.; Leith, G. A.; Martin, C. R.; Stephenson, K. S.; Heugh, R. A.; Brandt, A. M.; Chen, D. A.; Karakalos, S. G.; Smith, M. D.; Hatzell, K. B.; Pellechia, P. J.; Garashchuk, S.; Shustova, N. B.

Angew. Chem. Int. Ed. 2018, 57, 11310–11315.

69. Flipping the Switch: Fast Photoisomerization in a Confined Environment

Williams, D. E.; Martin, C. R.; Dolgopolova, E. A.; Swifton, A.; Godfrey, D. C.; Ejegbavwo, O. A.; Pellechia, P. J.; Smith, M. D.; Shustova, N. B.

J. Am. Chem. Soc., 2018, 140, 7611–7622.

Article featured on the cover

68. Photochemistry and Photophysics of MOFs: Steps Towards MOF-based Sensing Enhancements

Dolgopolova, E. A.; Rice, A. M., Martin, C. R.; Shustova, N. B.

Chem. Soc. Rev., 2018, 47, 4710–4728.

Article featured on the cover

67. Actinide-based MOFs: a Middle Ground in Solution and Solid-State Structural Motifs

Dolgopolova, E. A.; Rice, A. M.; Shustova, N. B.

Chem. Commun. 2018, 54, 6472–6483.

Article featured on the cover

66. Hierarchical Materials as Tailored Nuclear Waste Forms: A Perspective

zur Loye, H.-C.; Besmann, T.; Amoroso, J.; Brinkman, K.; Grandjean, A.; Henager, C. H.; Hu, S.; Misture, S. T.; Phillpot, S. R.; Shustova, N. B.; Wang, H.; Koch, R. J.; Morrison, G.; Dolgopolova, E. A.

Chem. Mater. 2018, 30, 4475–4488.

65. Inkjet-Printed Photoluminescent Patterns of Aggregation-Induced-Emission Chromophores on Surface-Anchored Metal–Organic Frameworks

Baroni, N.; Turshatov, A.; Adams, M.; Dolgopolova, E. A.; Schlisske, S.; Hernandez-Sosa, G.; Wöll, C.; Shustova, N. B.; Richards, B. S.; Howard, I. A.

ACS Appl. Mater. Interfaces, 2018, 10, 25754–25762.

64. Multifaceted Modularity: A Key for Stepwise Building of Hierarchical Complexity in Actinide Metal-Organic Frameworks

Dolgopolova, E. A.; Ejegbavwo, O. A.; Martin, C. R.; Smith, M. D.; Setyawan, M. W.; Karakalos, S. G.; zur Loye, H.-C.; Shustova, N. B.

J. Am. Chem. Soc. 2017, 139, 16852–16861.

63. Electronic Properties of Bimetallic Metal-Organic Frameworks (MOFs): Tailoring the Density of Electronic States Through MOF Modularity

Dolgopolova, E. A.; Brandt, A. J.; Ejegbavwo, O. A.; Duke, A. S.; Maddumapatabandi, T. D.; Galhenage, R. P.; Larson, B. W.; Reid, O. G.; Ammal, S. A.; Heyden, A.; Chandrashekhar, M.; Stavila, V.; Chen, D. A.; Shustova, N. B.

J. Am. Chem. Soc. 2017, 139, 5201–5209.

Highlighted in JACS Young Investigator Virtual Issue

62. Hierarchical Corannulene-Based Materials: Energy Transfer, and Solid-State Photophysics

Rice, A. M.; Fellows, B. W.; Dolgopolova, E. A.; Greytak, A. B.; Vannucci, A. K.; Smith, M. D.; Karakalos S. G.; Krause, J. A.; Avdoshenko, S. M; Popov, A. A.; Shustova, N. B.

Angew. Chem. Int. Ed. 2017, 56, 4525–4529.

61. Fulleretic Materials: Buckyball- and Buckybowl-Based Crystalline Frameworks

Rice, A. M.; Dolgopolova, E. A.; Shustova, N. B.

Chem. Mater. 2017, 29, 7054–7061.

60. A Metal-Organic Framework as a Flask: Photophysics of Confined Chromophores with a Benzylidene Imidazolinone Core

Dolgopolova, E. A.; Moore, T.; Ejegbavwo, O. A.; Pellechia P. J.; Shustova, N. B.

Chem. Commun. 2017, 53, 7361–7364.

Emerging Investigator Issue

59. Metal-Organic Framework Photophysics: Optoelectronic Devices, Photoswitches, Sensors, and Photocatalysts

Dolgopolova, E. A.; Shustova, N. B.

MRS Bull. 2016, 41, 890–896.

Article featured on the cover

div-class-title-mrs-volume-41-issue-11-c

58. Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems

Dolgopolova, E. A.; Rice, A. M.; Smith, M. D.; Shustova, N. B.

Inorg. Chem. 2016, 55, 7257–7264.

57. Fulleretic Well-Defined Scaffolds: Donor-Fullerene Alignment Through Metal Coordination and Its Effect on Photophysics

Williams, D. E.; Dolgopolova, E. A.; Godfrey, D. C.; Ermolaeva, E. D. Pellechia, P. J.; Greytak, A. B.; Smith, M. D.; Avdoshenko, S. M; Popov, A. A.; Shustova, N. B.

Angew. Chem. Int. Ed. 2016, 55, 9070–9074.

56. Photophysics of GFP-related Chromophores Imposed by a Scaffold Design

Dolgopolova, E. A.; Moore, T. M.; Fellows, W. B.; Smith, M. D.; Shustova, N. B.

Dalton Trans. (New Talents: Americas), 2016, 45, 9884–9881.

55. Redox-Active Corannulene Buckybowls in a Crystalline Hybrid Scaffold

Fellows, B. W.; Rice, A. M; Williams, D. E.; Dolgopolova, E. A.; Vannucci, A. K.; Pellechia, P. J.; Smith, M. D.; Krause, J. A.; Shustova, N. B.

Angew. Chem. Int. Ed. 2016, 55, 2195–2199.

Article featured on the cover

54. A Bio-inspired Approach for Chromophore Communication: Ligand-to-Ligand and Host-to-Guest Energy Transfer in Hybrid Crystalline Scaffolds

Dolgopolova, E. A.; Williams, D. E.; Greytak, A. B.; Rice, A. M.; Smith, M. D.; Krause, J. A.; Shustova, N. B.

Angew. Chem. Int. Ed. 2015, 54, 13639–13643.

53. A Mimic of the Green Fluorescent Protein β-barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold

Williams, D. E.; Dolgopolova, E. A.; Pellechia, P.J.; Palukoshka, A.; Wilson, T. J.; Tan, R.; Maier, J. M.; Greytak, A. B.; Smith, M. D.; Krause, J. A.; Shustova, N. B.

J. Am. Chem. Soc. 2015, 137, 2223–2226.

Highlighted in “Noteworthy Chemistry”

Highlighted in “Nanoreactors: Small Spaces, Big Implications in Chemistry”

52. Metal-Organic Frameworks as a Versatile Tool To Study and Model Energy Transfer Processes

Williams, D. E.; Shustova, N. B.

Chem. Eur. J. 2015, 21, 15474–15479.

51. Active Sites in Copper-based Metal-Organic Frameworks: Understanding Substrate Dynamics, Redox Processes, and Valence-Band Structure

Duke, A. S.; Dolgopolova, E. A.; Galhenage, R. P.; Ammal, S. C.; Heyden, A.; Smith, M. D.; Chen, D. A.; Shustova, N. B.

J. Phys. Chem. C, 2015, 119, 27457–27466.

50. Supramolecular Assembly of Metal-Organic Tubes Constructed from the Ditopic Heteroscorpionate Ligand (4-NH2C6H4)CHpz2 (pz = Pyrazol-1-yl) and Silver(I)

Gardinier, J. R.; Hewage, J. S.; Hoffman, J. H; Lindeman, S. V.; Williams, D. E.; Shustova, N. B.

Eur. J. Inorg. Chem. 2016, 2615–2625.

49. Energy Transfer on Demand: Photoswitch-Directed Behavior of Metal−Porphyrin Frameworks

Williams, D. E.; Rietman, J. A.; Maier, J. M.; Tan, R.; Greytak, A. B.; Smith, M. D.; Krause, J. A.; Shustova, N. B.

J. Am. Chem. Soc. 2014, 136, 11886–11889.

48. Perfluoroalkylfullerenes

Boltalina, O. V., Kuvychko, I. V.; Popov A. A.; Shustova, N. B.; Strauss, S. H.

Chem. Rev. 2015, 115, 1051–1105.

47. An Elusive Fulvene 1,7,11,24-C60(CF3)4 and Its Unusual Reactivity

Whitaker, J. B.; Kuvychko, I. V.; Shustova, N. B.; Chen, Y.-S.; Strauss, S. H.; Boltalina, O. V.

Chem. Commun. 2014, 50, 1205–1208.

46. Selective Turn-On Ammonia Sensing Enabled by High-Temperature Fluorescence in Metal–Organic Frameworks with Open Metal Sites

Shustova, N. B.; Cozzolino, A. F.; Reineke, S.; Baldo, M.; Dincă, M.

J. Am. Chem. Soc. 2013, 135, 13326–13329.

45. Regioselective Sequential Additions of Nucleophiles and Electrophiles to Perfluoroalkylfullerenes: Which Cage C Atoms Are the Most Reactive and Why?

Clikeman, T. T.; Kuvychko, I. V.; Shustova, N. B.; Chen, Y.-S.; Popov, A. A.; Boltalina, O. V.; Strauss, S. H.

Chem. Eur. J. 2013, 19, 5070–5080.

44. Structure of 7,9,12,15,18,20,39,24,45,57-C60(CF3)10(1,2:3,4-O)2. The First Regiospecific Diepoxidation of a Fullerene Derivative

Whitaker, J. B.; Shustova, N. B.; Strauss, S. H; Boltalina, O. V.

Acta Chim. Slov. 2013, 60, 577–582

a special issue in honor of Prof. Žemva

43. Phenyl Ring Dynamics in a Tetraphenylethylene-Bridged Metal-Organic Framework: Implications for the Mechanism of Aggregation-Induced Emission

Shustova, N. B.; Ong, T.-C.; Cozzolino, A. F.; Michaelis, V. K.; Griffin, R. G.; Dincă, M.

J. Am. Chem. Soc. 2012, 134, 15061–15070.

42. Conformational Locking by Design: Relating Strain Energy with Luminescence and Stability in Rigid Metal–Organic Frameworks

Shustova, N. B.; Cozzolino, A. F.; Dincă, M.

J. Am. Chem. Soc. 2012, 134, 19596–19599.

41. Turn-On Fluorescence in Tetraphenylethylene-Based Metal-Organic Frameworks: an Alternative to Aggregation-Induced Emission

Shustova, N. B.; McCarthy, B. D.; Dincă M.

J. Am. Chem. Soc. 2011, 133, 20126–20129.

40. Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2−16) and Their Radical Anions

Shustova, N. B.; Peryshkov, D. V.; Kuvychko, I. V.; Chen, Y.-S.; Mackey, M. A.; Coumbe, C. E.; Heaps, D. T.; Confait, B. S.; Heine, T.; Phillips, J. P.; Stevenson, S.; Dunsch, L.; Popov, A. A.; Strauss, S. H.; Boltalina, O. V.

J. Am. Chem. Soc. 2011, 133, 2672–2690.

39. Nitrogen Directs Multiple Radical Additions to 9,9'-Bi-1-aza(C60-Ih )[5,6]fullerene: X-ray Structure of 6,9,12,15,18-C59N(CF3)5

Shustova, N. B.; Kuvychko, I. V.; Popov, A. A.; Delius, M.; Dunsch, L.; Anderson, O. P.; Hirsch, A.; Strauss, S. H.; Boltalina, O. V.

Angew. Chem. Int. Ed. 2011, 50, 5537–5540.

38. Chemical Tailoring of Fullerene Acceptors: Synthesis, Structures and Electrochemical Properties of Perfluoroisopropylfullerenes

Shustova, N. B.; Kuvychko, I. V.; Peryshkov, D. V.; Whitaker, J. B.; Larson, B. W.; Chen, Y.-S.; Dunsch, L.; Seppelt, K.; Popov, A. A.; Strauss, S. H.; Boltalina, O. V.

Chem. Commun. 2011, 47, 875–877.

37. Substituent Effects in a Series of 1,7-C60(RF)2 Compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): Electron affinities, Reduction Potentials and E(LUMO) Values Are Not Always Correlated

Kuvychko, I. V.; Whitaker, J. B.; Larson, B. W.; Folsom, T. C.; Shustova, N. B.; Avdoshenko, S. M.; Chen, Y.-S.; Wen, H.; Wang, X. B.; Dunsch, L.; Popov, A. A.; Boltalina, O. V.; Strauss, S. H.

Chem. Sci. 2012, 3, 1399–1407.

36. In Search of Fullerene-Based Superacids: Synthesis, X-ray Structure, and DFT study of C60(C2F5)H

Kuvychko, I. V.; Shustova, N. B.; Avdoshenko, S. M.; Popov, A. A.; Strauss, S. H.; Boltalina, O. V.

Chem. Eur. J. 2011, 17, 8799–8802.

35. Saturnene Revealed : X-ray Crystal Structure of D5d-C60F20 Formed in Reactions of C60 with AxMFy Fluorinating Agents (A = Alkali Metal; M = 3d Metal)

Shustova, N. B.; Mazej, Z.; Chen, Y.-S.; Popov, A. A.; Strauss, S. H.; Boltalina, O. V.

Angew. Chem. Int. Ed. 2010, 49, 812–815.

34. High-Temperature and Photochemical Syntheses of C60 and C70 Fullerene Derivatives with Linear Perfluoroalkyl Chains

Shustova, N. B.; Kareev, I. E.; Kuvychko, I. V.; Whitaker, J. B.; Lebedkin, S. F.; Popov, A. A.; Dunsch, L.; Chen, Y.-S.; Seppelt, K.; Strauss, S.H.; Boltalina O. V.

J. Fluorine Chem. 2010, 131, 1198–1212.

33. Soluble Chlorofullerenes C60Cl2,4,6,8,10. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structural Elucidation, Including the X-ray Structure of C1-C60Cl10

Kuvychko, I. V.; Streletskii, A. V.; Shustova, N. B.; Seppelt, K.; Drewello, Popov, A. A.; Strauss, S. H.; Boltalina, O. V.

J. Am. Chem. Soc. 2010, 132, 6443–6462.

32. Redox-Tuning Endohedral Fullerene Spin States: From the Dication to the Trianion Radical of Sc3N@C80(CF3)2 in Five Reversible Single-Electron Steps

Popov, A. A.; Shustova, N. B.; Svitova, A. L.; Mackey, M. A.; Coumbe, C. E.; Phillips, J. P.; Stevenson, S.; Strauss, S. H.; Boltalina, O. V.; Dunsch, L.

Chem.-Eur. J. 2010, 16, 4721–4724.

31. Unraveling the Electron Spin Resonance Pattern of Nonsymmetric Radicals with 30 Fluorine Atoms: Electron Spin Resonance and Vis-Near Infrared Spectroelectrochemistry of the Anion Radicals and Dianions of C60(CF3)2n (2n = 2–10) Derivatives and Density Functional Theory-Assisted Assignment

Popov, A. A.; Kareev, I. E.; Shustova, N. B.; Strauss, S. H.; Boltalina, O. V.; Dunsch, L.

J. Am. Chem. Soc. 2010, 132, 1709–11721.

30. Sc3N@(C80-Ih (7)(CF3)14 and Sc 3N@(C80-Ih(7))(CF3)16. Endohedral Metallofullerene Derivatives with Exohedral Addends on Four and Eight Triple-Hexagon Junctions. Does the Sc3N Cluster Control the Addition Pattern or Vice Versa?

Shustova, N. B.; Chen, Y.-S.; Mackey, M. A.; Coumbe C. E.; Phillips, J. P.; Stevenson, S.; Popov, A. A.; Boltalina, O. V.; Strauss, S. H.

J. Am. Chem. Soc. 2009, 131, 17630–17637.

29. C1-(C84-C2(11))(CF3)12: Trifluoromethylation Yields Structural Proof of a Minor C84 Cage and Reveals a Principle of Higher Fullerene Reactivity

Kareev, I. E.; Kuvychko, I. V.; Shustova, N. B., Lebedkin, S. F.; Bubnov, V. P.; Anderson, O. P.; Popov, A. A.; Boltalina, O. V.; Strauss, S. H.

Angew. Chem. Int. Ed. 2008, 120, 6204–6207.

28. Synthesis and X-ray or NMR/DFT Structure Elucidation of Twenty-One New Trifluoromethyl Derivatives of Soluble Cage Isomers of C76, C78, C84, and C90

Kareev, I. E.; Popov, A. A.; Kuvychko, I. V.; Shustova, N. B., Lebedkin, S. F.; Bubnov, V. P.; Anderson, O. P.; Seppelt, K.; Strauss, S. H.; Boltalina, O. V.

J. Am. Chem. Soc. 2008, 130, 13471–13489.

27. Molecular and Crystal Structure of the C60F18 Adducts with Bromine and Carbon Disulfide

Shustova, N. B.; Serov, M.; Troyanov, S. I.

Fullerenes Nanotubes Carbon Nanostruct. 2008, 16, 597–602.

26. 1,7,16,30,36,47-Hexakis(perfluoroisopropyl)-1,7,16,30,36,47-hexahydro(C60–Ih)[5,6]fullerene

Shustova, N. B.; Kuvychko, I. V.; Boltalina, O. V.; Strauss, S. H.

Acta Cryst. 2007, E63, o4575.

25. ESR-Vis-NIR Spectroelectrochemical Study of C70(CF3)2−· and C70(C2F5)2−· Radical Anions

Popov, A. A.; Shustova, N. B.; Boltalina, O. V.; Strauss, S. H.; Dunsch, L.

ChemPhysChem 2008, 9, 431–438.

24. Synthesis, Spectroscopic and Electrochemical Characterization, and DFT Study of Seventeen C70(CF3)n Derivatives (n = 2, 4, 6, 8, 10, 12)

Popov, A. A.; Kareev, I. E.; Shustova, N. B.; Lebedkin, S. F.; Strauss, S. H.; Boltalina, O. V.; Dunsch, L.

Chem. Eur. J. 2008, 14, 107–121.

23. 1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)-1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C60-Ih)[5,6]fullerene

Shustova, N. B.; Anderson, O. P.; Boltalina, O. V.; Strauss, S. H.

Acta Cryst. 2007, E64, o159.

22. Radical Trifluoromethylation of Sc3N@C80

Shustova, N. B.; Popov, A. A.; Mackay, M. A.; Coumbe, C. E.; Phillips, J. P.; Stevenson, S.; Strauss, S. H.; Boltalina, O. V.

J. Am. Chem. Soc. 2007, 129, 11676–11677.

21. Trifluoromethyl Derivatives of Insoluble Small-HOMO-LUMO-Gap Hollow Higher Fullerenes. NMR and DFT Structure Elucidation of C2-(C74-D3h(CF3)12, Cs-(C76-Td)(CF3)12, C2-(C78-D3h(5))(CF3)12, Cs-(C80-C2v(5))(CF3)12, and C2-(C82-C2(5))(CF3)12

Shustova, N. B.; Kuvychko, I. V.; Bolskar, R. D.; Seppelt, K.; Strauss, S. H.; Boltalina, O. V.

J. Am. Chem. Soc. 2006, 128, 15793–15798.

20. Discovering and Verifying Fullerene Cage Isomers: Structures of C2-p11-(C74-D3h)(CF3)12 and C2-p11-(C78-D3h(5))(CF3)12

Shustova, N. B.; Newell, B. S.; Miller, S. M.; Anderson, O. P.; Bolskar, R. D.; Seppelt, K.; Popov, A. A.; Boltalina, O. V.; Strauss, S. H.

Angew. Chem. Int. Ed. 2007, 46, 4111–4114.

19. Electrochemical, Spectroscopic, and DFT Study of C60(CF3)n Frontier Orbitals (n = 2–18): The Link between Double Bonds in Pentagons and Reduction Potentials

Popov, A. A.; Kareev, I. E.; Shustova, N. B.; Stukalin, E. B.; Lebedkin, S. F.; Seppelt, K.; Strauss, S. H.; Boltalina, O. V.; Dunsch, L.

J. Am. Chem. Soc. 2007, 129, 11551–11568.

18. Thermally-Stable Perfluoroalkylfullerenes With the Skew-Pentagonal Pyramid Pattern: C60(C2F5)4O, C60(CF3)4O, and C60(CF3)6

Kareev, I. E.; Shustova, N. B.; Kuvychko, I. V.; Lebedkin, S. F.; Miller, S. M.; Anderson, O. P.; Popov, A. A.; Strauss, S. H.; Boltalina, O. V.

J. Am. Chem. Soc. 2006, 128, 12268–12280.

17.1,6,11,18,24,27,33,51,54,60-Decakis(trifluoromethyl)-1,6,11,18,24,27,33,51,54,60-decahydro(C60-Ih)[5,6]fullerene

Shustova, N. B.; Peryshkov, D. V.; Popov, A. A.; Boltalina, O. V.; Strauss, S. H.

Acta Cryst. 2007, E63, o3129.

16.1,6,11,18,24,27,33,51,54,60-Octakis(trifluoromethyl)-1,6,11,18,24,27,33,-51,54,60-octahydro(C60-Ih)[5,6]fullerene Deuterochloroform Solvate

Shustova, N. B.; Peryshkov, D. V.; Kareev, I. E.; Boltalina, O. V.; Strauss, S. H.

Acta Cryst. 2007, E63, o3398.

15.1,4,7,11,18,21,24,31,35,39,51,58,61,64-Tetradecakis(trifluoromethyl)-1,4,7,11,18,21,24,-31,35,39,51,58,61,64-tetradecahydro(C70–D5h[5,6]fullerene p-xylene Trisolvate

Shustova, N. B.; Peryshkov, D. V.; Kareev, I. E.; Boltalina, O. V.; Strauss, S. H.

Acta Cryst. 2007, E63, o3928–o3929.

14. X-ray Structure and DFT Study of C1-C60(CF3)12. A High-Energy Kinetically-Stable Isomer Prepared at 500 °C

Kareev, I. E.; Shustova, N. B.; Peryshkov, D. V.; Lebedkin, S. F.; Miller, S. M.; Anderson, O. P.; Popov, A. A.; Boltalina, O. V.; Strauss, S. H.

Chem. Commun. 2007, 1650–1652.

13.1,4,10,19,25,41,55,60,67,69-Decakis(trifluoromethyl)-1,4,10,19,25,41,55,60,67,69-decahydro(C70-D5h)[5,6]fullerene

Shustova, N. B.; Peryshkov, D. V.; Boltalina, O. V.; Strauss, S. H.

Acta Cryst. 2007, E63, o4073.

12.1,6,11,18,24,27,52,55-Octakis(trifluoromethyl)-1,6,11,18,24,27,52,55-octahydro(C60-Ih)[5,6]fullerene

Kareev, I. E.; Shustova, N. B.; Newell, B. S.; Miller, S. M.; Anderson, O. P.; Strauss, S. H.; Boltalina, O. V.

Acta Cryst. 2006, E62, o3154–o3156.

11. Structure of Halofullerenes Using Experimental and Theoretical Approaches

Troyanov, S.; Shustova, N.; Popov, A.; Ioffe, I.; Kemnitz, E.

Acta Cryst. 2005, A61, 19–20.

10. Crystal Structure C60 Prepared by a Reaction C60 with POCl3

Shustova, N. B.; Chernyshev, D. Y.; Troyanov S. I.

Mendeleev Commun. 2006, 4, 209–210.

9. Preparation and Structural Characterization of Two Kinetically Stable Chlorofullerenes, C28Cl60 and C60Cl30

Troyanov, S. I.; Shustova, N. B.; Popov, A. A.; Sidorov, L. N.; Kemnitz, E.

Angew. Chem. Int. Ed. 2005, 44, 432–435.

8. Preparation and Crystallographic Characterization of C60Cl24

Shustova, N. B.; Popov, A. A.; Sidorov, L. N.; Turnbull, A. P.; Kemnitz, E.; Troyanov, S. I.

Chem. Commun. 2005, 1411–1413.

7. Synthesis and Structure of the Highly Chlorinated [60]fullerene C60Cl30 with a Drum-Shaped Carbon Cage

Troshin, P. A.; Lyubovskaya, R. N., Ioffe, I. N.; Shustova, N. B.; Kemnitz, E.; Troyanov, S. I.

Angew. Chem. Int. Ed. 2005, 44, 234–237.

6. Synthesis and Structural Characterization of Highly Chlorinated C70, C70Cl28

Troyanov, S. I.; Shustova, N. B.; Ioffe, I. N.; Turnbull, A. P.; Kemnitz, E.

Chem. Commun. 2005, 72–74.

5. Synthesis and Structure of C60 Fullerene Chlorides

Troyanov, S. I.; Shustova, N. B.; Popov, A. A.; Sidorov, L.N.

Russ. Chem. Bull. 2005, 54, 1656–1666.

4. Electron Affinity and Suppression Effect in Analysis of Chlorofullerenes by MALDI Mass Spectrometry

Sidorov, L. N.; Livadaris, V.; Shustova, N. B.; Ioffe, I. N.; Kemnitz, E.; Troyanov, S. I.

Russ. Chem. Bull. 2005, 54, 1121–1124.

3. Synthesis and Properties of Inorganic Compounds Fullerene C60 and C70 Chlorination using Chlorides SbCl5 and VCl4

Troyanov, S. I.; Shustova, N. B., Popov, A. A.; Feist, M.; Kemnitz, E.

Russ. J. Inorg. Chem. 2004, 49, 1303–1307.

2. Negative Ions of Trifluoromethyl Fullerene Derivatives: First Thermodynamic Data

Alyoshina V. E., Borshchevsky A. Ya., Dorozhkin E. I., Goryunkov A. A., Astakhov A. V., Shustova N. B., Ovchinnikova N. S.

Fullerenes, Nanotubes, and Carbon Nanostruct. 2003, 12, 201–207.

1. Fluorination of the Cubic and Hexagonal C60 Modifications by Crystalline Manganese Trifluoride

Aleshina, V. E.; Borschevskii, A. Ya.; Skokan, E. V.; Arhangelskii, I. V.; Astahov, A. V.; Shustova, N. B.

Phys. Solid State 2002, 44, 629–630.