tert-Butyl peroxy radical: ground and first excited state energetics and fundamental frequencies-Reference-Cited by-同舟云学术

tert-Butyl peroxy radical: ground and first excited state energetics and fundamental frequencies

Published:2019 Issue:19 Volume:21 Page:9747-9758
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Franke Peter R.¹²³⁴,Moore Kevin B.¹²³⁴⁵,Schaefer Henry F.¹²³⁴⁵^ORCID,Douberly Gary E.¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. University of Georgia

3. Athens

4. USA

5. Center for Computational Quantum Chemistry

Abstract

The lowest adiabatic electronic transition origin and fundamental vibrational frequencies are computed, with high accuracy, for the tert-butyl peroxy radical.

Funder

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01476D

Reference78 articles.

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4. Investigation of Ethyl Peroxy Radical Conformers via Cavity Ringdown Spectroscopy of the Ã-X̃ Electronic Transition

5. UV absorption cross sections and reaction kinetics and mechanisms for peroxy radicals in the gas phase

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