TY - JOUR
T1 - Tautomerism, phototautomerism and infrared spectra of matrix-isolated 2-quinolinethione
AU - Prusinowska, Dorota
AU - Lapinski, Leszek
AU - Nowak, Maciej J.
AU - Adamowicz, Ludwik
N1 - Funding Information:
This work was supportebdy the EuropeanU niong rantN o. CIPA-CT 93-0108a ndby the grant No. INT-9100935fr om the NationalS cienceF oundation(U SA). L. Adamo-wicz acknowledgessu pportf rom the Office of Health and EnvironmentaRl esearch, Departmenotf Energy( GrantNo. DEFG 0393ER61605L).. Adamowicza lsoacknowl-edgest heS wedishN aturalS cienceR esearchC ouncilf or a scholarshiapn dP rofessorBs . Roos and A. Sadlej and the Universityo f Lund theoreticagl roupfor their hospitality.
PY - 1995/10
Y1 - 1995/10
N2 - The IR spectra of thione and thiol tautomers of 2-quinolinethione isolated in Ar and N2 low-temperature matrices are reported. The UV-induced photochemical reaction, transforming the initially abundant thione form into the thiol form, was used for separation of the spectra of the two tautomers. The ratio of the tautomers before UV irradiation of the sample was estimated as [thione]/[thiol] = 7:1. The experimental spectra of 2(1 H)-quinolinethione and 2-quinolinethiol were interpreted by comparison with the spectra calculated theoretically at the ab initio SCF/6-31 G** level.
AB - The IR spectra of thione and thiol tautomers of 2-quinolinethione isolated in Ar and N2 low-temperature matrices are reported. The UV-induced photochemical reaction, transforming the initially abundant thione form into the thiol form, was used for separation of the spectra of the two tautomers. The ratio of the tautomers before UV irradiation of the sample was estimated as [thione]/[thiol] = 7:1. The experimental spectra of 2(1 H)-quinolinethione and 2-quinolinethiol were interpreted by comparison with the spectra calculated theoretically at the ab initio SCF/6-31 G** level.
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U2 - 10.1016/0584-8539(95)01433-U
DO - 10.1016/0584-8539(95)01433-U
M3 - Review article
AN - SCOPUS:0346701133
SN - 1386-1425
VL - 51
SP - 1809
EP - 1826
JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
IS - 11
ER -