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
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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