Nonplanar structure of C6H5SCF3 facilitates pi sigma*-mediated photodissociation reaction on the S-1 state

Cited 2 time in webofscience Cited 0 time in scopus
  • Hit : 374
  • Download : 0
Vibrational structure of trifluoromethylthiobenzene (C6H5SCF3) on the S-1 state has been investigated by resonance-enhanced two-photon ionization spectroscopy and nature of predissociation dynamics is inferred from homogeneously broadened spectral features. As C6H5SCF3 adopts a nonplanar structure in both the S-0 and S-1 states, the effective adiabatic barrier generated by avoided crossing of optically bright bound S-1 (pi pi*) and dark-repulsive Sy (pi sigma*) surfaces along the reaction coordinate is significantly lowered, giving the S-1 lifetime of similar to 300 fs. This experiment demonstrates that the molecular structure spanned by the reactive flux near the curve-crossing region dictates reaction rate as well as nonadiabatic transition probability. (C) 2016 Elsevier B.V. All rights reserved
Publisher
ELSEVIER SCIENCE BV
Issue Date
2016-08
Language
English
Article Type
Article
Keywords

INTRAMOLECULAR ORBITAL ALIGNMENT; THIOPHENOL; DYNAMICS; SUBSTITUTION; CONFORMATION; CONFORMERS

Citation

CHEMICAL PHYSICS LETTERS, v.659, pp.43 - 47

ISSN
0009-2614
DOI
10.1016/j.cplett.2016.06.083
URI
http://hdl.handle.net/10203/213557
Appears in Collection
CH-Journal Papers(저널논문)
Files in This Item
There are no files associated with this item.
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡ Click to see webofscience_button
⊙ Cited 2 items in WoS Click to see citing articles in records_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0