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Rigid ground state structure of 1,2-dihydro-3H-benz[e]inden-3-one deformed in the lowest electronic triplet state

Rigid ground state structure of 1,2-dihydro-3H-benz[e]inden-3-one deformed in the lowest electronic triplet state.Some chemicals with cas registry numbers like 93-08-3 and 2459-25-8 are also used. van der Burgt, Marco J.; Jansen, Jouke; Herbert Huizer, A.; Varma, Cyril A. G. O. (Leiden Institute of Chemistry, Leiden University, Gorlaeus Laboratories, P.O. Box 9502, RA Leiden 2300, Neth.). Journal of Molecular Structure, 385(3), 175-183 (English) 1996 Elsevier. CODEN: JMOSB4. ISSN: 0022-2860. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Section cross-reference(s): 75 The X-ray diffraction of cryst. 1,2-dihydro-3H-benz[e]inden-3-one (DHBI) reveals that the mol. geometry is fully planar in the electronic ground state. Glassy solns. of 2-naphthaldehyde, 2-acetonaphthone and Me 2-naphthoate in the mixts. methylcyclohexane/iso-pentane (MIP) and methanol/ethanol (ME) are phosphorescent. DHBI in ME shows phosphorescence, but in MIP it is non-phosphorescent. The phosphorescence spectra of these compds. and of naphthalene have a strong resemblance. This is in accordance with a mol. distortion in the lowest triplet state, which decouples the p electron systems of the carbonyl group and the naphthyl group. The absence of phosphorescence of DHBI in MIP, indicates a geometry of the triplet state, having a non-planar naphthalene ring, when the mol. is in the non-hydrogen bonded form. .