Iranian Journal of Mathematical Chemistry

Iranian Journal of Mathematical Chemistry

Enumeration of Conformers of Octahedral [M(ABC)_{6}] Complex on the Basis of Computational Group Theory

Document Type : Research Paper

Authors
Yamagata University
Abstract
Conformers of [M(ABC)6] complex have been enumerated on the basis of computational group theory, where M is the central metal, and ABC is the ligand, bound to M through A. Based on the 16 conformers of the M(AB)6 core unit, 7173 conformers have been found for the [M(ABC)6] complex, which are assigned to nine point groups, 1 D3d, 4 D3, 4 S6, 5 C2h, 7 C3, 182 C2, 15 Cs, 23 Ci, and 6932 C1.
Keywords
Subjects

Volume 7, Issue 2 - Serial Number 2
Special Issue On Applications of Group Theory in Chemistry
Summer 2016
Pages 223-234