Monocyclic and bicyclic CO4: how stable are they?-Reference-Cited by-同舟云学术

Monocyclic and bicyclic CO4: how stable are they?

Published:2015 Issue:111 Volume:5 Page:91581-91586
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

He Fei-fei¹²³⁴,Gao Si-meng⁵⁶⁷⁸,de Petris Giulia⁹¹⁰¹¹¹²,Rosi Marzio¹³¹⁴¹⁵¹²,Ding Yi-hong¹²³⁴

Affiliation:

1. Institute of Theoretical Chemistry

2. Jilin University

3. Changchun 130023

4. People's Republic of China

5. College of Chemistry and Chemical Engineering

6. Northeast Petroleum University

7. Daqing 163318

8. PR China

9. Dipartimento di Chimica e Tecnologie del Farmaco

10. “Sapienza” University of Rome

11. 00185 Roma

12. Italy

13. Dipartimento di Ingegneria Civile e Ambientale

14. University of Perugia and ISTM-CNR

15. 06125 Perugia

Abstract

For the first time the barriers for the CO₂-elimination from 11 and 12 energy-rich CO₄ were located, they amount to 28.7 and 14.7 kcal mol⁻¹ at the CASPT2(18e,12o)/CBS level of theory, and 23.5 and 21.1 kcal mol⁻¹ at the UCCSD(T)/CBS level of theory.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA19895J

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5. Coordination Adducts of Niobium(V) and Tantalum(V) Azide M(N3)5(M=Nb, Ta) with Nitrogen Donor Ligands and their Self-Ionization

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