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Supermolecular design: From molecules to solid states
Author(s) -
Minyaev Ruslan M.,
Starikov Andrey G.,
Minkin Vladimir I.
Publication year - 2016
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25019
Subject(s) - dodecahedron , cubane , molecule , tetrahedron , crystallography , chemistry , crystal structure , stereochemistry , organic chemistry
A short review of the recent studies aimed at the search for novel stable polyhedral structures engineered by superstruction of the classical parent highly strained but kinetically stable organic predecessors, tetrahedrane, cubane, and dodecahedrane is presented. A series of stable structures B 80 H 20 , C 80 H 20 , and Al 80 H 20 with tetrahedral B 4 H, C 4 H, and Al 4 H fragments displacing CH vertices of the cubane and dodecahedron scaffolds was computationally designed. In the similar way, the molecules С 104 H 32 , В 104 H 32 , В 64 С 40 H 32 and В 40 С 64 H 32 , Al 104 H 32 , Si 104 H 32 and Al 64 Si 40 H 32 representing the supermolecular models of the corresponding crystal structures were constructed on the basis of the diamond crystal lattice in which carbon atoms are replaced by B 4 , C 4 , and Al 4 and Si 4 tetrahedral moieties, respectively. The effect of crystalline packing exerted on the conformation of the non‐rigid molecular structures is discussed by an example of supermolecular modeling of the structural configuration of a ten molecule sampling of a bis‐chelate Ni(II) complex. © 2015 Wiley Periodicals, Inc.