Synthesis and characterization of the trans(O6) isomer Ni(II) complex containing symmetrical edta-type ligand with mixed carboxylate and diamine rings: Quantum-mechanical evaluation of different isomers

[Display omitted] •The trans(O6) isomer of the [Ni(1,3-pddadp)]2− complex was synthesized and characterized by X-ray structure analysis.•The most probable pathways for formation of trans(O6)-[Ni(1,3-pddadp)]2− anion have been proposed.•QM modeling, B3LYP/TZVP, of different isomers has been done in o...

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Bibliographic details
Volume: 495
Main Author: Jeremic, Marija S
Radovanovic, Marko D
Klisuric, Olivera R
Belosevic, Svetlana K
Matovic, Zoran D
Format: Journal Article
Language: English
Place of publication: LAUSANNE Elsevier B.V 01.09.2019
ELSEVIER SCIENCE SA
published in: Inorganica Chimica Acta Vol. 495; pp. 118954 - 118964
ORCID: 0000-0002-5937-4424
0000-0002-7066-9928
Data of publication: 2019-09-01
ISSN: 0020-1693
1873-3255
EISSN: 1873-3255
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
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