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Stabilization of Tricoordinate Pyramidal Boron: Theoretical Studies on CBSiH 5 , BSi 2 H 5 , CBGeH 5 , and CBSnH 5
Author(s) -
Giju Kalathingal T.,
Phukan Ashwini Kumar,
Jemmis Eluvathingal D.
Publication year - 2003
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.200390155
Subject(s) - boron , crystallography , atom (system on chip) , planar , maxima and minima , chemistry , computational chemistry , mathematics , computer science , organic chemistry , computer graphics (images) , embedded system , mathematical analysis
Discovery of new pyramids : Theoretical studies have characterized CBSiH 5 , BSi 2 H 5 , CBGeH 5 , and CBSnH 5 , all of which have a tricoordinate pyramidal boron atom as minima on their respective potential energy surfaces (see picture). The extent of pyramidalization, as well as the energy for inversion through the planar structure, is dependent on the substituents of the boron atom.