Tautomerism, phototautomerism and infrared spectra of matrix-isolated 2-quinolinethione

Dorota Prusinowska; Leszek Lapinski; Maciej J. Nowak; Ludwik Adamowicz

doi:10.1016/0584-8539(95)01433-U

Tautomerism, phototautomerism and infrared spectra of matrix-isolated 2-quinolinethione

Dorota Prusinowska, Leszek Lapinski, Maciej J. Nowak, Ludwik Adamowicz

Research output: Contribution to journal › Review article › peer-review

34 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	1809-1826
Number of pages	18
Journal	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volume	51
Issue number	11
DOIs	https://doi.org/10.1016/0584-8539(95)01433-U
State	Published - Oct 1995

ASJC Scopus subject areas

Analytical Chemistry
Atomic and Molecular Physics, and Optics
Instrumentation
Spectroscopy

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10.1016/0584-8539(95)01433-U

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@article{db3b5d282ec64a5f911438d41ef69e8f,

title = "Tautomerism, phototautomerism and infrared spectra of matrix-isolated 2-quinolinethione",

abstract = "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.",

author = "Dorota Prusinowska and Leszek Lapinski and Nowak, {Maciej J.} and Ludwik Adamowicz",

note = "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.",

year = "1995",

month = oct,

doi = "10.1016/0584-8539(95)01433-U",

language = "English (US)",

volume = "51",

pages = "1809--1826",

journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",

issn = "1386-1425",

publisher = "Elsevier B.V.",

number = "11",

}

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 -

Tautomerism, phototautomerism and infrared spectra of matrix-isolated 2-quinolinethione

Abstract

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