Selective C-H versus O-H Bond Activation of CH3OH upon Electrospraying Methanolic Solutions of MX2 (M = Fe, Co, Ni; X = Br, I): A DFT Study

被引：20

作者：

Schlangen, Maria ^{[1
]}

Schwarz, Helmut ^{[1
]}

机构：

[1] Tech Univ Berlin, Inst Chem, D-10623 Berlin, Germany

来源：

CHEMCATCHEM | 2010年 / 2卷 / 07期

关键词：

bond activation; density functional calculations; electrospray ionization; homogeneous catalysis; reaction mechanisms; GAS-PHASE OXIDATION; GAUSSIAN-BASIS SETS; VANADIUM-OXIDE; CHEMICAL-REACTIONS; ATOMS LI; FORMALDEHYDE; DEHYDROGENATION; REACTIVITY; DECOMPOSITION; METAVANADATE;

D O I：

10.1002/cctc.201000042

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：

[No abstract available]

引用

页码：799 / 802

页数：4