Tetracarbaboranes: nido structures without bridging hydrogens-Reference-Cited by-同舟云学术

Tetracarbaboranes: nido structures without bridging hydrogens

Published:2016 Issue:46 Volume:45 Page:18541-18551
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Attia Amr A. A.¹²³⁴⁵,Lupan Alexandru¹²³⁴⁵,King R. Bruce⁶⁷⁸⁹¹⁰

Affiliation:

1. Department of Chemistry

2. Faculty of Chemistry and Chemical Engineering

3. Babeş-Bolyai University

4. Cluj-Napoca

5. Romania

6. Department of Chemistry and Center for Computational Quantum Chemistry

7. University of Georgia

8. Athens

9. Georgia

10. USA

Abstract

The structures and energetics of the tetracarbaboranes C₄B_n−4H_n (n = 6 to 13) have been investigated by density functional theory. In general, the lowest energy structures of the tetracarbaboranes C₄B_n−4H_n minimize the number of C–C polyhedral edges as well as the degrees of the carbon vertices.

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/DT/C6DT03507H

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