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Vibronic Couplirigs in Vibrational Spectra of Crystalline p-Chloroaniline

Maria Magdalena Szostak ; Institute of Organic and Physical Chemistry, Technical University oj Wroclaw, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw, Poland

Puni tekst: engleski pdf 6.506 Kb


str. 633-648

preuzimanja: 299



The polarized middle (M)IR 'transmission and ATR spectra,
the polarized NIR absorption spectra of' the p-chloroaniline (p-CA)
single crystal and the MIR spectra of the p-CA and benzene .
solutions, as well as the Raman spectra of the crystal, solution
and molten p-CA have been measured .. Also the inelastic incoherent
neutron scattering (!INS) spectra have been measured for
comparison. The dichroic ratios for the crystal plane (111) have
been calculated and compared with the observed ones. One previous
assumption concerning the applicability of the oriented gas model has been proved within the effective charge-charge flux model. On the basis of the detailed qualitative analysis of the intensities and frequencies of the fundamental vibration bands, many observed features of the spectra have been explained by vibronic couplings.

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