Abstract
The assignment of the absorption spectra of 2-(2,4,6-cycloheptatrien-1-ylidene)-4-cyclopentene-1,3-dione (1) is reported by measuring the induced circular dichroism spectra of the β-cyclodextrin complex with1. It is concluded from the signs of the induced circular dichroism bands that the first absorption band (17.1×103–34.3×103 cm−1) is composed of three electronic transitions having perpendicular, parallel and perpendicular polarizations with respect to the long axis (z) of1. The second absorption band (34.3×103–42.8×103 cm−1) is composed of two electronic transitions having parallel polarizations with respect to the long axis of1 and the third absorption band (42.8×103–47.1×103 cm−1) has the transition dipole moment perpendicular to the long axis of1. Our experimental assignments are supported by CNDO/S CI calculations.
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Higashi, M., Yamaguchi, H. & Oda, M. Induced circular dichroism spectra of 2-(2,4,6-cycloheptatrien-1-ylidene)-4-cyclopentene-1,3-dione included inβ-cyclodextrin. Journal of Inclusion Phenomena 6, 249–252 (1988). https://doi.org/10.1007/BF00682137
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DOI: https://doi.org/10.1007/BF00682137