ACCEPTOR ABILITY AND DONOR STRENGTH OF BIPHENYL-LIKE ALPHA-DIIMINE LIGANDS - A THEORETICAL AND GAS-PHASE UV PHOTOELECTRON SPECTROSCOPIC STUDY

被引:7
作者
BARONE, V
CAULETTI, C
PIANCASTELLI, MN
GHEDINI, M
TOSCANO, M
机构
[1] UNIV ROME,DIPARTMENTO CHIM,I-00100 ROME,ITALY
[2] UNIV CALABRIA,DIPARTIMENTO CHIM,I-87030 ARCAVACATA,ITALY
基金
美国国家科学基金会; 美国国家航空航天局;
关键词
D O I
10.1021/j100172a023
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The gas-phase photoelectron spectra of 2,2'-bipyrazine and 3,3'-bipyridazine have been recorded and interpreted by means of quantum-mechanical computations. These results, together with those previously reported for 2,2'-bipyridine, 2,2'-bipyrimidine, and 4,4'-bipyrimidine, and with computations of electron affinities, atomic charges, and conformational energies, allow a quantitative analysis of the trends of several physicochemical characteristics in this class of chelating agents. Simple models have also been employed to rationalize some of these trends.
引用
收藏
页码:7217 / 7220
页数:4
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