Gas-phase oxidation of propane and 1-butene with [V3O7]+:: Experiment and theory in concert

被引：106
作者：
Feyel, Sandra
Schroeder, Detlef
Rozanska, Xavier
Sauer, Joachim
Schwarz, Helmut
机构：
[1] Humboldt Univ, Inst Chem, D-10099 Berlin, Germany
[2] Tech Univ Berlin, Inst Chem, D-10623 Berlin, Germany
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2006年 / 45卷 / 28期
关键词：
gas-phase reactions; C-H activation; density functional theory; mass spectrometry; vanadium oxides;
D O I：
10.1002/anie.200600045
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A good beginning is half the battle. Combined experimental and theoretical studies concerning the dehydrogenation of hydrocarbons by [V3O 7]+ underline the decisive role of the initial C-H activation step. Propane is found to be unreactive, whereas 1-butene rapidly reacts with [V3O7]+ (see picture). (Figure Presented). © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
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收藏
页码：4677 / 4681
页数：5
相关论文
共 53 条
[1]   Methane activation by platinum cluster ions in the gas phase:: effects of cluster charge on the Pt4 tetramer [J].
Achatz, U ;
Berg, C ;
Joos, S ;
Fox, BS ;
Beyer, MK ;
Niedner-Schatteburg, G ;
Bondybey, VE .
CHEMICAL PHYSICS LETTERS, 2000, 320 (1-2) :53-58
[2]   ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE [J].
AHLRICHS, R ;
BAR, M ;
HASER, M ;
HORN, H ;
KOLMEL, C .
CHEMICAL PHYSICS LETTERS, 1989, 162 (03) :165-169
[3]  
Asmis K.R., 2005, ANGEW CHEM, V117, P3182
[4]   Polyhedral vanadium oxide cages:: Infrared spectra of cluster anions and size-induced d electron localization [J].
Asmis, KR ;
Santambrogio, G ;
Brümmer, M ;
Sauer, J .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2005, 44 (20) :3122-3125
[5]   Gas phase infrared spectroscopy of mono- and divanadium oxide cluster cations [J].
Asmis, KR ;
Meijer, G ;
Brümmer, M ;
Kaposta, C ;
Santambrogio, G ;
Wöste, L ;
Sauer, J .
JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (14) :6461-6470
[6]  
Asmis KR, 2002, PHYS CHEM CHEM PHYS, V4, P1101, DOI 10.1039/b1111056j
[7]  
BECKE AD, 1988, PHYS REV A, V37, P785, DOI DOI 10.1103/PHYS.REV.B.37-785
[8]   Gas-phase chemistry of vanadium oxide cluster cations.: 1.: Reactions with C2F6 and CH3CF3 [J].
Bell, RC ;
Zemski, KA ;
Castleman, AW .
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (43) :8293-8299
[9]   Reactivities and collision-induced dissociation of vanadium oxide cluster cations [J].
Bell, RC ;
Zemski, KA ;
Kerns, KP ;
Deng, HT ;
Castleman, AW .
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (10) :1733-1742
[10]   Remarks on the proper use of the broken symmetry approach to magnetic coupling [J].
Caballol, R ;
Castell, O ;
Illas, F ;
Moreira, PR ;
Malrieu, JP .
JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (42) :7860-7866
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