Mechanism of the catalytic oxidation of hydrocarbons by N-hydroxyphthalimide:: a theoretical study

被引:80
作者
Hermans, I
Vereecken, L
Jacobs, PA
Peeters, J
机构
[1] Ctr Surface Sci & Catalysis, Dept Interphase Chem, B-3001 Heverlee, Belgium
[2] Katholieke Univ Leuven, Dept Chem, Div Phys & Analyt Chem, B-3001 Heverlee, Belgium
关键词
D O I
10.1039/b401050g
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The mechanism of the recently proposed catalytic oxidation of hydrocarbons by oxygen in the presence of N-hydroxyphthalimide (NHPI) was established by quantum chemical calculations, consistent with experiments.
引用
收藏
页码:1140 / 1141
页数:2
相关论文
共 19 条
[1]   Hydroxylamines as oxidation catalysts: Thermochemical and kinetic studies [J].
Amorati, R ;
Lucarini, M ;
Mugnaini, V ;
Pedulli, GF ;
Minisci, F ;
Recupero, F ;
Fontana, F ;
Astolfi, P ;
Greci, L .
JOURNAL OF ORGANIC CHEMISTRY, 2003, 68 (05) :1747-1754
[2]  
[Anonymous], ACTIVATION FUNCTIONA
[3]   Selective catalytic oxidation of cyclohexylbenzene to cyclohexylbenzene-1-hydroperoxide:: a coproduct-free route to phenol [J].
Arends, IWCE ;
Sasidharan, M ;
Kühnle, A ;
Duda, M ;
Jost, C ;
Sheldon, RA .
TETRAHEDRON, 2002, 58 (44) :9055-9061
[4]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[5]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[6]  
Frisch M., 2016, Gaussian, V16
[7]  
HERMANS I, 2004, UNPUB CHEMPHYSCHEM
[8]   A new strategy for alkane oxidation with O2 using N-hydroxyphthalimide (NHPI) as a radical catalyst [J].
Ishii, Y ;
Sakaguchi, S .
CATALYSIS SURVEYS FROM JAPAN, 1999, 3 (01) :27-35
[9]  
Ishii Y, 2001, ADV SYNTH CATAL, V343, P393, DOI 10.1002/1615-4169(200107)343:5<393::AID-ADSC393>3.0.CO
[10]  
2-K