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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 22, Number 4
JKCSEZ 22(4)
August 20, 1978 

Spectroscopic Studies of trans-1,2-Bispyrazylethylene

트란스-1,2-비스피라질에틸렌에 대한 분광학적 연구
Sang Chul Shim, Han-Young Kang

심상철, 강한영
Stilbene 유도체인 trans-1,2-bispyrazylethylene에 대한 분광학적 연구를 행하였다. 보통의 자외선 흡수스펙트럼에서는 n→π* 흡수밴드는 에너지가 비슷한 π→π* 흡수밴드에 가려져서 나타나지 않는데 2차 미분 스펙트럼과 저온(77˚K)에서의 스펙트럼으로 부터 n→π* 흡수 밴드를 확인할 수가 있었다. 또한 π→π* 흡수밴드들의 전이에너지를 PPP-SCF-CI MO 방법으로 계산한 결과 스펙트럼에서 얻은 값과 잘 일치했다. 형광스펙트럼, 형광편광스펙트럼, 그리고 PPP-SCF-CI MO 방법에 의한 계산으로부터 형광을 내는 상태는 1(π,π*) 상태임을 알 수가 있었으며 이것은 형광에 대한 alkaline salt effect의 결과와 일치한다.

Spectroscopic studies of trans-1,2-bispyrazylethylene (BPE), one of the stilbene analogues, were carried out. In normal UV spectra, a distinct n→π* absorption band is missing because of a strong, nearly isoenergetic π→π* absorption band. The second derivative and low temperature (77˚K) UV absorption spectra were taken and n-π* absorption band was identified by these methods. The transition energies of π→π* transitions were calculated by Pariser-Parr-Pople (PPP)-SCF-CI MO method. The calculated values showed good agreement with the observed spectral data. Luminescence studies were also carried out at low temperature. From the fluorescence spectra, fluorescence polarization studies, and PPP-SCF-CI MO calculation, the fluorescent state was determined to be a singlet (π,π*) state. This conclusion is in good agreement with the results obtained from alkaline salt effects on the fluorescence of this compound.

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