Sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect.
Phys Chem Chem Phys
; 20(10): 7053-7058, 2018 Mar 07.
Article
em En
| MEDLINE
| ID: mdl-29473923
ABSTRACT
Using quantum computations we study sum-frequency vibrational spectroscopy of limonene chiral liquids due to the nonadiabatic effect in the non-resonant case for the first time. The nonadiabatic effect has an important impact on non-resonant antisymmetric polarizability and chiral sum-frequency vibrational spectroscopy. The theoretical spectroscopy agrees with the experimental spectroscopy. However, the nonadiabatic effect only has a small influence on non-resonant Raman. Bulk sum-frequency vibrational spectroscopy may become a powerful method of investigating the nonadiabatic effect and the nonradiative transition between excited electronic states for chiral molecules.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Assunto da revista:
BIOFISICA
/
QUIMICA
Ano de publicação:
2018
Tipo de documento:
Article