Article ID Journal Published Year Pages File Type
9585184 Journal of Electron Spectroscopy and Related Phenomena 2005 5 Pages PDF
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 π-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.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
, , ,