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
收藏
页码：799 / 802
页数：4
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