Theoretical and Experimental Investigation on Dipole Moment of Synthetized yt-Base in the Ground and Excited States

Ignacy Gryczynski, Ch Jung, A. Kawski, S. Paszyc, B. Skalski

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Abstract

The electric dipole moment of yt-Baae calculated by the CNDO/S and JNDO/S method is µg = 3.42 D and µg = 3.74 D in the ground state and µe = 4.41 D and µe = 5.67 D in the first excited ππ*-state, respectively, µg and µe being nearly antiparallel. Measurements of absorption and fluorescence spectra of yt-Base in aprotic solvents of different polarity yielded µg = 3.8 D and µe = 4.3 D and the directions of dipole moments were found to be nearly antiparallel. This comparison may be considered as an indication for the ππ* character of the observable first excited state, although the CNDO/S- and JNDO/S-calculations predict a nπ*-state as the lowest lying excited state.

Original languageEnglish
Pages (from-to)172-175
Number of pages4
JournalZeitschrift fur Naturforschung - Section A Journal of Physical Sciences
Volume34
Issue number2
DOIs
StatePublished - 1 Feb 1979

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Dipole moment
Excited States
Experimental Investigation
Excited states
Ground state
Dipole
Ground State
Antiparallel
dipole moments
Moment
ground state
Electric dipole moments
excitation
Polarity
electric moments
Fluorescence
electric dipoles
Lowest
polarity
indication

Cite this

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title = "Theoretical and Experimental Investigation on Dipole Moment of Synthetized yt-Base in the Ground and Excited States",
abstract = "The electric dipole moment of yt-Baae calculated by the CNDO/S and JNDO/S method is µg = 3.42 D and µg = 3.74 D in the ground state and µe = 4.41 D and µe = 5.67 D in the first excited ππ*-state, respectively, µg and µe being nearly antiparallel. Measurements of absorption and fluorescence spectra of yt-Base in aprotic solvents of different polarity yielded µg = 3.8 D and µe = 4.3 D and the directions of dipole moments were found to be nearly antiparallel. This comparison may be considered as an indication for the ππ* character of the observable first excited state, although the CNDO/S- and JNDO/S-calculations predict a nπ*-state as the lowest lying excited state.",
author = "Ignacy Gryczynski and Ch Jung and A. Kawski and S. Paszyc and B. Skalski",
year = "1979",
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language = "English",
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Theoretical and Experimental Investigation on Dipole Moment of Synthetized yt-Base in the Ground and Excited States. / Gryczynski, Ignacy; Jung, Ch; Kawski, A.; Paszyc, S.; Skalski, B.

In: Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, Vol. 34, No. 2, 01.02.1979, p. 172-175.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - Theoretical and Experimental Investigation on Dipole Moment of Synthetized yt-Base in the Ground and Excited States

AU - Gryczynski, Ignacy

AU - Jung, Ch

AU - Kawski, A.

AU - Paszyc, S.

AU - Skalski, B.

PY - 1979/2/1

Y1 - 1979/2/1

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AB - The electric dipole moment of yt-Baae calculated by the CNDO/S and JNDO/S method is µg = 3.42 D and µg = 3.74 D in the ground state and µe = 4.41 D and µe = 5.67 D in the first excited ππ*-state, respectively, µg and µe being nearly antiparallel. Measurements of absorption and fluorescence spectra of yt-Base in aprotic solvents of different polarity yielded µg = 3.8 D and µe = 4.3 D and the directions of dipole moments were found to be nearly antiparallel. This comparison may be considered as an indication for the ππ* character of the observable first excited state, although the CNDO/S- and JNDO/S-calculations predict a nπ*-state as the lowest lying excited state.

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