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Title: First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C(1D) 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]
+ Show Author Affiliations
  1. Nanjing Univ. (China)
  2. Univ. of New Mexico, Albuquerque, NM (United States); Nanjing Univ. (China)
  3. Univ. of New Mexico, Albuquerque, NM (United States)
Publication Date:
Research Org.:
Univ. of New Mexico, Albuquerque, NM (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division
OSTI Identifier:
1598420
Alternate Identifier(s):
OSTI ID: 1491775
Grant/Contract Number:  
SC0015997
Resource Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP
Additional Journal Information:
Journal Volume: 21; Journal Issue: 17; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

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(1D) by N 2. United States: N. p., 2019. Web. doi:10.1039/C8CP07171C.
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An, Feng, Han, Shanyu, Hu, Xixi, Xie, Daiqian, & Guo, Hua. First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C(1D) by N 2. United States. https://doi.org/10.1039/C8CP07171C
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An, Feng, Han, Shanyu, Hu, Xixi, Xie, Daiqian, and Guo, Hua. Fri . "First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C(1D) by N 2". United States. https://doi.org/10.1039/C8CP07171C. https://www.osti.gov/servlets/purl/1598420.
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@article{osti_1598420,
title = {First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C(1D) 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},
number = 17,
volume = 21,
place = {United States},
year = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1039/C8CP07171C
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