A New Insight into Gold(I)-Catalyzed Hydration of Alkynes: Proton Transfer

被引:186
作者
Krauter, Caroline M. [1 ]
Hashmi, A. Stephen K. [1 ]
Pernpointner, Markus [1 ]
机构
[1] Heidelberg Univ, Inst Organ Chem, Neuenheimer Feld 270, D-69120 Heidelberg, Germany
关键词
alkynes; gold; proton transfer; solvent effects; theoretical studies; TRANSFORMATION; MOLECULES; ACETALS; KETONES; ATOMS; MODEL;
D O I
10.1002/cctc.201000136
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:1226 / 1230
页数:5
相关论文
共 29 条
[1]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[2]   Fast evaluation of geometries and properties of excited molecules in solution: A Tamm-Dancoff model with application to 4-dimethylaminobenzonitrile [J].
Cammi, R ;
Mennucci, B ;
Tomasi, J .
JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (23) :5631-5637
[3]   New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution [J].
Cossi, M ;
Scalmani, G ;
Rega, N ;
Barone, V .
JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (01) :43-54
[4]   Energy-consistent pseudopotentials for group 11 and 12 atoms: adjustment to multi-configuration Dirac-Hartree-Fock data [J].
Figgen, D ;
Rauhut, G ;
Dolg, M ;
Stoll, H .
CHEMICAL PHYSICS, 2005, 311 (1-2) :227-244
[5]  
Frisch M. J., 2003, Gaussian 03
[6]   EFFICIENT TRANSFORMATION OF METHYL PROPARGYL ETHERS INTO ALPHA,BETA-UNSATURATED KETONES [J].
FUKUDA, Y ;
UTIMOTO, K .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1991, 64 (06) :2013-2015
[7]   EFFECTIVE TRANSFORMATION OF UNACTIVATED ALKYNES INTO KETONES OR ACETALS BY MEANS OF AU(III) CATALYST [J].
FUKUDA, Y ;
UTIMOTO, K .
JOURNAL OF ORGANIC CHEMISTRY, 1991, 56 (11) :3729-3731
[8]   REACTION-PATH FOLLOWING IN MASS-WEIGHTED INTERNAL COORDINATES [J].
GONZALEZ, C ;
SCHLEGEL, HB .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14) :5523-5527
[9]   AN IMPROVED ALGORITHM FOR REACTION-PATH FOLLOWING [J].
GONZALEZ, C ;
SCHLEGEL, HB .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (04) :2154-2161
[10]  
HABERLEN OD, 1993, J PHYS CHEM-US, V97, P4970, DOI 10.1021/j100121a019