Methane Activation by Yttrium-Doped Vanadium Oxide Cluster Cations: Local Charge Effects

被引：60

作者：

Li, Zi-Yu ^{[1
,2
]}

Zhao, Yan-Xia ^{[1
]}

Wu, Xiao-Nan ^{[1
,2
]}

Ding, Xun-Lei ^{[1
]}

He, Sheng-Gui ^{[1
]}

机构：

[1] Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China

[2] Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2011年 / 17卷 / 42期

基金：

中国国家自然科学基金;

关键词：

charge transfer; cluster compounds; density functional calculations; mass spectrometry; methane activation; HYDROGEN-ATOM ABSTRACTION; H BOND ACTIVATION; GAS-PHASE; METAL-FREE; THERMAL-ACTIVATION; RADICAL CATIONS; OXYGEN-ATOM; OXIDATION; ANIONS; REACTIVITY;

D O I：

10.1002/chem.201102055

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Enhance the reactivity: By combined experimental and theoretical studies of vanadium-yttrium oxide cluster cations and other related reaction systems, local charge effects on methane activation by oxygen-centered radicals (O -.), as well as nonradical oxygen species (O2-), have been demonstrated and can serve as a fundamental basis for rational design of catalysts for direct transformation of methane in practice (see figure). © 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：11728 / 11733

页数：6

共 76 条

[1] ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 2ND AND 3RD ROW TRANSITION-ELEMENTS [J].