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Unusual Silicon Coordination Polyhedra: Non‐VSEPR Structures of Zwitterionic λ 5 ‐ Si Silicon(IV) Complexes with an SiS 2 N 2 C or SiS 2 O 2 C Skeleton
Author(s) -
Troegel Dennis,
Burschka Christian,
Riedel Sebastian,
Kaupp Martin,
Tacke Reinhold
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200700785
Subject(s) - polyhedron , silicon , trigonal bipyramidal molecular geometry , crystallography , sulfur , chemistry , trigonal crystal system , computational chemistry , materials science , crystal structure , combinatorics , organic chemistry , mathematics
Trading places : The pentavalent silicon compounds 1 and 2 with distorted trigonal‐bipyramidal Si coordination polyhedra contain sulfur atoms that occupy axial positions, which contradicts VSEPR predictions for these zwitterionic compounds. These findings are supported by DFT and MP2 calculations (S yellow, Si magenta, O red, N blue, C gray).