ABINITIO MO STUDY OF CO2 INSERTION INTO A CU(I)-H BOND - SEMIQUANTITATIVE UNDERSTANDING OF CHANGES IN GEOMETRY, BONDING, AND ELECTRON-DISTRIBUTION DURING THE REACTION

被引:53
作者
SAKAKI, S
OHKUBO, K
机构
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D O I
10.1021/ic00312a016
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
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页码:2583 / 2590
页数:8
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共 74 条
[1]   ACTIVATION OF CARBON-DIOXIDE WITH ALUMINUM PORPHYRIN AND REACTION WITH EPOXIDE - STUDIES ON (TETRAPHENYLPORPHINATO)ALUMINUM ALKOXIDE HAVING A LONG OXYALKYLENE CHAIN AS THE ALKOXIDE GROUP [J].
AIDA, T ;
INOUE, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (05) :1304-1309
[2]   HYDROCONDENSATION OF CO2 .2. REACTION OF CARBON-DIOXIDE AND CARBON-MONOXIDE WITH [HCUPPH3]6 [J].
BEGUIN, B ;
DENISE, B ;
SNEEDEN, RPA .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1981, 208 (01) :C18-C20
[3]   NICKEL(II) CYCLAM - AN EXTREMELY SELECTIVE ELECTROCATALYST FOR REDUCTION OF CO2 IN WATER [J].
BELEY, M ;
COLLIN, JP ;
RUPPERT, R ;
SAUVAGE, JP .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1984, (19) :1315-1316
[4]   ELECTROCATALYTIC REDUCTION OF CO2 BY NI CYCLAM2+ IN WATER - STUDY OF THE FACTORS AFFECTING THE EFFICIENCY AND THE SELECTIVITY OF THE PROCESS [J].
BELEY, M ;
COLLIN, JP ;
RUPPERT, R ;
SAUVAGE, JP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (24) :7461-7467
[5]   REACTIVITY OF COPPER(I) TETRAHYDROBORATES TOWARD CO2 AND COS - STRUCTURE OF (TRIPHOS)CU(ETA-1-O2CH) [J].
BIANCHINI, C ;
GHILARDI, CA ;
MELI, A ;
MIDOLLINI, S ;
ORLANDINI, A .
INORGANIC CHEMISTRY, 1985, 24 (06) :924-931
[6]  
BINKLEY JS, 1984, GAUSSIAN 82
[7]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[8]   CO2 ROTATIONAL-ISOMERISM IN BIS(ETHYLENE)(CARBON DIOXIDE)MOLYBDENUM COMPLEXES - A THEORETICAL-STUDY [J].
BRANCHADELL, V ;
DEDIEU, A .
INORGANIC CHEMISTRY, 1987, 26 (23) :3966-3968
[9]   PHOSPHINECARBOXYLATE LIGANDS FORMED BY THE INSERTION OF CARBON-DIOXIDE INTO METAL-PHOSPHIDO BONDS - PREPARATION AND STRUCTURAL CHARACTERIZATION OF TETRAKIS(DI-TERT-BUTYLPHOSPHINECARBOXYLATO)DIMOLYBDENUM [J].
BUHRO, WE ;
CHISHOLM, MH ;
FOLTING, K ;
HUFFMAN, JC .
INORGANIC CHEMISTRY, 1987, 26 (19) :3087-3088
[10]   CARBON-DIOXIDE COORDINATION CHEMISTRY .5. THE PREPARATION AND STRUCTURE OF RH(ETA-1-CO2)(CL)(DIARS)2 [J].
CALABRESE, JC ;
HERSKOVITZ, T ;
KINNEY, JB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (18) :5914-5915