The absorption spectra of anisole-h8, anisole-d3 and anisole-d8. The assignment of fundamental vibrations in the S0 and the S1 states.
The REMPI spectra of anisole-h8, anisole-d3 and anisole-d8 have been measured. The assignment of the fundamental vibrations of anisole in the S(1) state is supported by quantum chemical model calculations, the isotopic shifts, the comparison with the frequencies of corresponding vibrations in other monosubstituted benzenes, especially phenol, and the overtones, combinations and progressions observed in the spectrum of anisole-h8. The frequencies of the 42 fundamental vibrations of anisole in the S(1) state are evaluated and compared with the frequencies of the corresponding vibrations in the electronic ground state. Some assignments given earlier in the literature have been revised.
Hoffmann
L J H
LJ
Institute of Chemistry, Department of Physical and Theoretical Chemistry, Free University Berlin.
Marquardt
S
S
Gemechu
A S
AS
Baumgärtel
H
H
D000042:Absorption; D000840:Anisoles / Q000032:analysis* / Q000737:chemistry*; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D013057:Spectrum Analysis / Q000379:methods*; D014732:Vibration
D000840:Anisoles