Enumeration of conformers for octahedral [MX(AB)5] and [MX(ABC)5] complexes on the basis of computational group theory
Conformers of [ MX(AB) 5 ] and [ MX(ABC) 5 ] complexes have been enumerated on the basis of computational group theory, where M is the central metal, X is the monoatomic ligand, and AB and ABC are the diatomic and bent triatomic ligands, respectively, which bound to M through A. For the [ MX(AB) 5 ]...
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Published in | Journal of mathematical chemistry Vol. 55; no. 6; pp. 1360 - 1366 |
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Main Authors | , |
Format | Journal Article |
Language | English |
Published |
Cham
Springer International Publishing
01.06.2017
Springer Nature B.V |
Subjects | |
Online Access | Get full text |
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Summary: | Conformers of [
MX(AB)
5
] and [
MX(ABC)
5
] complexes have been enumerated on the basis of computational group theory, where M is the central metal, X is the monoatomic ligand, and AB and ABC are the diatomic and bent triatomic ligands, respectively, which bound to M through A. For the [
MX(AB)
5
] complex, 35 bisected diastereomers have been found as 2
C
s
, and 33
C
1
. Based on the 35 diastereomers of the
MX(AB)
6
core unit, 8271 conformers have been found for the [
MX(ABC)
5
] complex, which are assigned to two point groups, 18
C
s
, and 8253
C
1
. |
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ISSN: | 0259-9791 1572-8897 |
DOI: | 10.1007/s10910-017-0751-y |