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Eugeny V. Alexandrov

Bio: Eugeny V. Alexandrov is an academic researcher from Samara State Technical University. The author has contributed to research in topics: Metal-organic framework & Topology (chemistry). The author has an hindex of 12, co-authored 36 publications receiving 1188 citations. Previous affiliations of Eugeny V. Alexandrov include Samara National Research University & Russian Academy of Sciences.

Papers
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Journal ArticleDOI
TL;DR: A recently developed approach to formalize the analysis of extended architectures by successive simplifications of a crystal structure perceived as a periodic net is discussed and the up-to-date methods for prediction of the topology of underlying nets are discussed.
Abstract: We discuss a recently developed approach to formalize the analysis of extended architectures by successive simplifications of a crystal structure perceived as a periodic net. The approach has been implemented into the program package TOPOS that allows one to simplify and classify coordination polymers of any complexity in an automated mode. Using TOPOS, we retrieved 6620 3-periodic coordination polymers from the Cambridge Structural Database and represented them in a standard way as underlying nets. The topological classification of both 975 interpenetrating and 5645 single 3-periodic underlying nets has been performed and compared. The up-to-date methods for prediction of the topology of underlying nets are discussed and the ways to develop reticular chemistry are outlined.

600 citations

Journal ArticleDOI
TL;DR: A topology-directed design and synthesis of a series of Zr-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, a critical step in the petroleum refining process to produce gasoline with high octane rating.
Abstract: As an alternative technology to energy intensive distillations, adsorptive separation by porous solids offers lower energy cost and higher efficiency. Herein we report a topology-directed design and synthesis of a series of Zr-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, a critical step in the petroleum refining process to produce gasoline with high octane rating. Zr6O4(OH)4(bptc)3 adsorbs a large amount of n-hexane but excluding branched isomers. The n-hexane uptake is ~70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr6O4(OH)8(H2O)4(abtc)2, is capable of discriminating all three C6 isomers and yielding a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is critical for producing gasoline with further improved quality. Multicomponent breakthrough experiments provide a quantitative measure of the capability of these materials for separation of C6 alkane isomers. A detailed structural analysis reveals the unique topology, connectivity and relationship of these compounds.

224 citations

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TL;DR: This review focuses on topological features of three-periodic (framework) p, d, and f metal cyano complexes or cyanometallates, i.e. coordination compounds, where CN(-) ligands play the main structure-forming role.
Abstract: This review focuses on topological features of three-periodic (framework) p, d, and f metal cyano complexes or cyanometallates, i.e. coordination compounds, where CN– ligands play the main structure-forming role. In addition, molecular, one-periodic (chain), and two-periodic (layer) cyanometallates are considered as possible building blocks of the three-periodic cyanometallates. All cyanometallates are treated as systems of nodes (mononuclear, polynuclear, or transitional metal cluster complexes) joined together via CN-containing spacers. The most typical nodes and spacers as well as methods of their connection are described and systematized. Particular attention is paid to the overall structural motifs in the three-periodic cyanometallates, especially to the relations between the local coordination (coordination figure) of structural units and the entire framework topology. The chemical factors are discussed that influence the cyanometallate topological properties due to modification of nodes, spacers, o...

130 citations

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TL;DR: Three electrically conductive metal–organic frameworks (MOFs) based on a tetrathiafulvalene linker and La3+.
Abstract: We report three electrically conductive metal–organic frameworks (MOFs) based on a tetrathiafulvalene linker and La3+. Depending on the solvent ratios and temperatures used in their solvothermal synthesis, these MOFs crystallize with different topologies containing distinct π–π stacking sequences of the ligand. Notably, their transport properties correlate rationally with the stacking motifs: longer S⋯S contact distances between adjacent ligands coincide with lower electrical conductivities and higher activation energies. Diffuse reflectance spectroscopic measurements reveal ligand-based intervalence charge transfer bands in each phase, implicating charge delocalization among mixed-valent tetrathiafulvalene units as the dominant mode of transport. Overall, these frameworks demonstrate how tuning the intermolecular interactions in MOFs serves as a route towards controlling their physical properties.

101 citations

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TL;DR: It is reported that self-assembly of a rigid and planar ligand gives rise to flat hexagonal honeycomb motifs which are extended into undulated two dimensional (2D) layers and finally generate three polycatenated HOFs with record complexity.
Abstract: Hydrogen-bonded organic frameworks (HOFs) show great potential in many applications, but few structure–property correlations have been explored in this field. In this work, we report that self-asse...

98 citations


Cited by
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Journal ArticleDOI
TL;DR: ToposPro as mentioned in this paper is a topological analysis of crystal structures realized in the current version of the program package ToposPro, which can be used to analyze various classes of chemical compounds including coordination polymers, molecular crystals, supramolecular ensembles, inorganic ionic compounds, intermetallics, fast-ion conductors, microporous materials.
Abstract: Basic concepts of computer topological analysis of crystal structures realized in the current version of the program package ToposPro are considered. Applications of the ToposPro methods to various classes of chemical compounds—coordination polymers, molecular crystals, supramolecular ensembles, inorganic ionic compounds, intermetallics, fast-ion conductors, microporous materials—are illustrated by many examples. It is shown that chemically and crystallographically different structures can be automatically treated in a similar way with the ToposPro approaches.

2,232 citations

Journal ArticleDOI
TL;DR: Deconstructing the Crystal Structures of Metal Organic Frameworks and Related Materials into Their underlying Nets into Their Underlying Nets shows clear trends in how these materials are modified over time to form crystals.
Abstract: Deconstructing the Crystal Structures of Metal Organic Frameworks and Related Materials into Their Underlying Nets Michael O’Keeffe* and Omar M. Yaghi* Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287, United States Center for Reticular Chemistry, Center for Global Mentoring, Department of Chemistry and Biochemistry, University of California Los Angeles, 607 Charles E. Young Dr. East, Los Angeles, California 90095, United States Graduate School of EEWS, Korea Advanced Institute of Science and Technology, Daejeon, Korea

1,845 citations

Journal ArticleDOI
TL;DR: In this paper, the authors address the nature of these height fluctuations by means of straightforward atomistic Monte Carlo simulations based on a very accurate many-body interatomic potential for carbon and find that ripples spontaneously appear due to thermal fluctuations with a size distribution peaked around 70 \AA which is compatible with experimental findings (50-100 \AA) but not with the current understanding of flexible membranes.
Abstract: The stability of two-dimensional (2D) layers and membranes is subject of a long standing theoretical debate. According to the so called Mermin-Wagner theorem, long wavelength fluctuations destroy the long-range order for 2D crystals. Similarly, 2D membranes embedded in a 3D space have a tendency to be crumpled. These dangerous fluctuations can, however, be suppressed by anharmonic coupling between bending and stretching modes making that a two-dimensional membrane can exist but should present strong height fluctuations. The discovery of graphene, the first truly 2D crystal and the recent experimental observation of ripples in freely hanging graphene makes these issues especially important. Beside the academic interest, understanding the mechanisms of stability of graphene is crucial for understanding electronic transport in this material that is attracting so much interest for its unusual Dirac spectrum and electronic properties. Here we address the nature of these height fluctuations by means of straightforward atomistic Monte Carlo simulations based on a very accurate many-body interatomic potential for carbon. We find that ripples spontaneously appear due to thermal fluctuations with a size distribution peaked around 70 \AA which is compatible with experimental findings (50-100 \AA) but not with the current understanding of stability of flexible membranes. This unexpected result seems to be due to the multiplicity of chemical bonding in carbon.

1,367 citations

Journal ArticleDOI
TL;DR: Linkers and/or Multiple Building Units and the Minimal Transitivity Principle
Abstract: Linkers and/or Multiple Building Units and the Minimal Transitivity Principle Mian Li,† Dan Li,† Michael O’Keeffe,*,‡,§ and Omar M. Yaghi †Department of Chemistry, Shantou University, Guangdong 515063, P. R. China ‡Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287, United States Graduate School of EEWS (WCU), KAIST, 373-1, Guseng Dong, Yuseong Gu, Daejeon 305-701, Republic of Korea Department of Chemistry, University of CaliforniaBerkeley and Lawrence Berkeley National Laboratory, Berkeley, California 94720-1460, United States

962 citations

Journal ArticleDOI
TL;DR: This Review discusses the efforts undertaken so far to achieve efficient charge transport in MOFs and focuses on four common strategies that have been harnessed toward high conductivities.
Abstract: Metal–organic frameworks (MOFs) are intrinsically porous extended solids formed by coordination bonding between organic ligands and metal ions or clusters. High electrical conductivity is rare in M...

751 citations