Structural and theoretical investigations of the Rh(III) and Co(III) complexes containing symmetrical edta-type ligands with mixed carboxylate and diamine rings: Quantum-mechanical/NBO insight into stability of geometrical isomers

Results of detailed structural distortion analysis of [M(edta-type)]− complexes in relation to their geometry combined with DFT/NBO calculations (B3LYP/SDD, M06/SDD, MP2/SDD) indicate the probability of formation of the trans(O6)-[Rh(1,3-pddadp)]− complex and exclude possibility of the trans(O6)-[Co...

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Bibliographic details
Volume: 169
Main Author: Jeremić, Marija S
Radovanović, Marko D
Heinemann, Frank W
Vasojević, Miorad M
Matović, Zoran D
Format: Journal Article
Language: English
Place of publication: OXFORD Elsevier Ltd 01.09.2019
PERGAMON-ELSEVIER SCIENCE LTD
Elsevier BV
published in: Polyhedron Vol. 169; pp. 89 - 101
ORCID: 0000-0002-9007-8404
0000-0002-7066-9928
Data of publication: 2019-09-01
ISSN: 0277-5387
Discipline: Chemistry
Subjects:
DFT
NBO
NBO
DFT
Online Access: available in Bonn?
Database: Web of Knowledge
Web of Science - Science Citation Index Expanded - 2019
Science Citation Index Expanded
Web of Science
CrossRef
OpenAIRE
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