Chemistry Journal of Moldova

ELECTRONIC CONTROL OF MOLECULAR CONFIGURATION INSTABILITY VIA VIBRONIC COUPLING. PSEUDO JAHN-TELLER STABILIZATION OF VERTICALLY EXCITED STATES OF F2CO, N2H2 AND H2C2O MOLECULES

Author(s):

Natalia Gorinchoy


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2014 Volume 9, no.2
Pages: 80-89
Keywords:

Pseudo Jahn-Teller effect, stereochemistry, excited states, carbonyl fluoride, diazene, ketene


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Abstract (PDF)

DOI:
dx.doi.org/10.19261/cjm.2014.09(2).12

Graphical Abstract:
 The pseudo Jahn-Teller effect is employed to explane the origin of structural distortions of carbonyl fluoride, diazene and ketene molecules in the lowest singlet and triplet excited states. It was shown that in all the cases the distortions of the molecules in the excited states are due to the vibronic mixing of considered states with the appropriate by symmetry higher-lying excited states.



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