Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9585184 | Journal of Electron Spectroscopy and Related Phenomena | 2005 | 5 Pages |
Abstract
The HeI photoelectron spectra of 2,2-difluoro-4-methyl-5,6-[2H-benzopyrano(3,4-e)-2-one]-1,3,2-dioxaborine have been measured and compared with PES of 3-acetyl-4-hydroxycoumarin. The ionization bands in the spectra have been assigned on the basis of AM1 semi-empirical quantum chemical calculations. X-ray analysis of the boron chelate crystals has also been undertaken. Effective Ï-electron delocalization in the 1,3,2-dioxaborine ring of 2,2-difluoro-4-methyl-5,6-[2H-benzopyrano(3,4-e)-2-one]-1,3,2-dioxaborine both in gas phase and in solid state has been suggested.
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Authors
Valery F. Traven, Alexander V. Manaev, Tatjana A. Chibisova,