A theoretical analysis of the structure and properties of B26H30 isomers. Consequences to the laser and semiconductor doping capabilities of large borane clusters

Author:

Macháček Jan1234,Francés-Monerris Antonio56789ORCID,Karmodak Naiwrit10111213,Roca-Sanjuán Daniel14151617ORCID,Fanfrlík Jindřich182194ORCID,Londesborough Michael G. S.1234ORCID,Hnyk Drahommír1234ORCID,Jemmis Eluvathingal D.10111213ORCID

Affiliation:

1. Institute of Inorganic Chemistry

2. Czech Academy of Sciences

3. CZ-250 68 Husinec-Řež

4. Czech Republic

5. Université de Lorraine

6. CNRS

7. LPCT

8. F54000 Nancy

9. France

10. Department of Inorganic and Physical Chemistry

11. Indian Institute of Science

12. Bangalore 56001

13. India

14. Instituto de Ciencia Molecular

15. Universitat de València

16. 46071 València

17. Spain

18. Institute of Organic Chemistry and Biochemistry

19. CZ-166 10 Praha 6

Abstract

The most stable isomer B26H30 with its predicted applications.

Funder

Grantová Agentura České Republiky

Council of Scientific and Industrial Research, India

Science and Engineering Research Board

Agence Nationale de la Recherche

Ministerio de Ciencia e Innovación

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference43 articles.

1. A borane laser

2. Binary twinned-icosahedral [B21H18]− interacts with cyclodextrins as a precedent for its complexation with other organic motifs

3. R. N. Grimes , Carboranes , Academic Press , 2011

4. J. M. Oliva , A.Francés-Monerris and D.Roca-Sanjuán , Quantum Chemistry of Excited States in Polyhedral Boranes , in Boron – the Fifth Element, Chapter 9, Challenges and Advances in Computational Chemistry and Physics , ed. D. Hnyk and M. McKee , Springer , Heidelberg, New York, Dordrecht and London , 2015 , vol. 20

5. Electronic Requirements for Macropolyhedral Boranes

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