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Title: First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C( 1 D) by N 2

Abstract

Intersystem crossing is a common and important nonadiabatic process in molecular systems. Revealed with a first-principles investigation, the quenching of C( 1 D) by N 2 is efficient due to multiple passages via long-lived collisional resonances, despite relatively small spin–orbit couplings.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [3]
  1. Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China
  2. Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China, Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque
  3. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1491775
Grant/Contract Number:  
SC0015997
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 21 Journal Issue: 17; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

An, Feng, Han, Shanyu, Hu, Xixi, Xie, Daiqian, and Guo, Hua. First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C( 1 D) by N 2. United Kingdom: N. p., 2019. Web. doi:10.1039/C8CP07171C.
An, Feng, Han, Shanyu, Hu, Xixi, Xie, Daiqian, & Guo, Hua. First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C( 1 D) by N 2. United Kingdom. doi:10.1039/C8CP07171C.
An, Feng, Han, Shanyu, Hu, Xixi, Xie, Daiqian, and Guo, Hua. Wed . "First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C( 1 D) by N 2". United Kingdom. doi:10.1039/C8CP07171C.
@article{osti_1491775,
title = {First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C( 1 D) by N 2},
author = {An, Feng and Han, Shanyu and Hu, Xixi and Xie, Daiqian and Guo, Hua},
abstractNote = {Intersystem crossing is a common and important nonadiabatic process in molecular systems. Revealed with a first-principles investigation, the quenching of C( 1 D) by N 2 is efficient due to multiple passages via long-lived collisional resonances, despite relatively small spin–orbit couplings.},
doi = {10.1039/C8CP07171C},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 17,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {4}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C8CP07171C

Citation Metrics:
Cited by: 1 work
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