期刊
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
卷 149, 期 1-3, 页码 6-10出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.elspec.2005.06.001
关键词
3-acetyl-4-hydroxycoumarin; 2,2-difluoro-4-methyl-5,6-[2H-benzopyrano(3,4-e)-2-one]-1,3,2-dioxaborine; tautomerism; photoelectronspectroscopy; X-ray crystal analysis; electron structure
类别
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 AMI semi-empirical quantum chemical calculations. X-ray analysis of the boron chelate crystals has also been undertaken. Effective pi-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. (c) 2005 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据