CORRELATION OF THE REACTIVITY OF COORDINATED PI-HYDROCARBONS WITH ELECTRONIC PARAMETERS .4. INDO MOLECULAR-ORBITAL CALCULATIONS ON THE CATIONS [(C6H5X)FE(C5H5)]+ (X=H,ME,OME,COOME)

被引:22
作者
CLACK, DW
KANEMAGUIRE, LAP
机构
[1] Chemistry Department, University College Cardiff, Cardiff, Wales
关键词
D O I
10.1016/S0022-328X(00)91505-5
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Molecular orbital calculations have been made for the series of cations [(C6H5X)Fe(C5H5)]+ (X = H, Me, OMe, COOMe). The results provide some support for recent proposals concerning the relationship between the site of nucleophilic attack and the even or odd hapticity of the π-hydrocarbon ligands. However, the factors which determine the position of attack in a particular ring appear to be neither charge controlled nor influenced by the LUMO in the complex. © 1979.
引用
收藏
页码:199 / 204
页数:6
相关论文
共 10 条
[1]   CORRELATION OF REACTIVITY OF COORDINATED PI-HYDROCARBONS WITH ELECTRONIC PARAMETERS .1. INDO CALCULATIONS ON CATION [(C6H7)FE(CO)3]+ [J].
CLACK, DW ;
MONSHI, M ;
KANEMAGUIRE, LAP .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1976, 107 (03) :C40-C42
[2]   CORRELATION OF REACTIVITY OF COORDINATED PI-HYDROCARBONS WITH ELECTRONIC PARAMETERS .2. INDO CALCULATIONS ON CATIONS [(C7H6X)CR(CO)3]+(X=H,OME,COOME) [J].
CLACK, DW ;
MONSHI, M ;
KANEMAGUIRE, LAP .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1976, 120 (02) :C25-C27
[3]   CORRELATION OF REACTIVITY OF COORDINATED PI-HYDROCARBONS WITH ELECTRONIC PARAMETERS .3. STABILIZATION OF BENZYL CATION COORDINATED TO CR(CO)3 [J].
CLACK, DW ;
KANEMAGUIRE, LAP .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1978, 145 (02) :201-206
[4]  
CLACK DW, UNPUBLISHED
[5]   NUCLEOPHILIC-ADDITION TO ORGANOTRANSITION METAL-CATIONS CONTAINING UNSATURATED HYDROCARBON LIGANDS - SURVEY AND INTERPRETATION [J].
DAVIES, SG ;
GREEN, MLH ;
MINGOS, DMP .
TETRAHEDRON, 1978, 34 (20) :3047-3077
[6]   DIENYL COMPLEXES OF TRANSITION METALS .I. ADDITION OF HYDRIDE TO METHYL-SUBSTITUTED ARENECYCLOPENTADIENYLIRON CATIONS [J].
KHAND, IU ;
PAUSON, PL ;
WATTS, WE .
JOURNAL OF THE CHEMICAL SOCIETY C-ORGANIC, 1968, (17) :2257-&
[7]   DIENYL COMPLEXES OF TRANSITION METALS .3. ADDITION OF HYDRIDE TO METHOXY-SUBSTITUTED ARENECYCLOPENTADIENYLIRON CATIONS [J].
KHAND, IU ;
PAUSON, PL ;
WATTS, WE .
JOURNAL OF THE CHEMICAL SOCIETY C-ORGANIC, 1969, (01) :116-&
[8]  
KHAND IU, 1968, J CHEM SOC C, P2261, DOI 10.1039/j39680002261
[9]   DIENYL COMPLEXES OF TRANSITION-METALS .6. ADDITION OF HYDRIDE TO (METHYL BENZOATE) CYCLOPENTADIENYLIRON CATION [J].
MCGREER, JF ;
WATTS, WE .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1976, 110 (01) :103-107
[10]  
1958, INTERATOMIC DISTANCE