Nonsphericity in diferratetracarbaboranes having 2n + 2 Wadean skeletal electrons: deviations from closo deltahedral geometries and high-energy kinetically stable isomers-Reference-Cited by-同舟云学术

Nonsphericity in diferratetracarbaboranes having 2n + 2 Wadean skeletal electrons: deviations from closo deltahedral geometries and high-energy kinetically stable isomers

Published:2020 Issue:4 Volume:22 Page:2437-2448
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Attia Amr A. A.¹²³⁴^ORCID,Lupan Alexandru¹²³⁴^ORCID,King R. Bruce⁵⁶⁷⁸^ORCID

Affiliation:

1. Faculty of Chemistry and Chemical Engineering

2. Babeş-Bolyai University

3. Cluj-Napoca

4. Romania

5. Department of Chemistry

6. University of Georgia

7. Athens

8. USA

Abstract

The three Cp₂Fe₂C₄Me₄ isomers, produced under relatively mild conditions and having an “open” tetragonal or pentagonal face, correspond to the lowest energy structures not based on the 14-vertex closo deltahedron. The corresponding global minimum is an experimentally observed closo structure.

Funder

European Regional Development Fund

Ministerul Educaţiei şi Cercetării Ştiinţifice

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP04777H

Reference44 articles.

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5. A General Theory for Cluster and Ring Compounds of the Main Group and Transition Elements

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