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ORGANOMETALLIC PHOTOCHEMISTRY - ABINITIO POTENTIAL-ENERGY SURFACES AS REACTION MAPS OF THE PRIMARY PHOTOPROCESS
被引:18
作者
:
DANIEL, C
论文数:
0
引用数:
0
h-index:
0
机构:
ER 139 du CNRS, Laboratoire de Chimie Quantique, 67000 Strasbourg, 4, rue Blaise Pascal
DANIEL, C
机构
:
[1]
ER 139 du CNRS, Laboratoire de Chimie Quantique, 67000 Strasbourg, 4, rue Blaise Pascal
来源
:
COORDINATION CHEMISTRY REVIEWS
|
1990年
/ 97卷
关键词
:
D O I
:
10.1016/0010-8545(90)80085-8
中图分类号
:
O61 [无机化学];
学科分类号
:
070301 ;
081704 ;
摘要
:
The mechanism of the primary photoprocess for several photochemical reactions of organomettalic molecules will be discussed on the basis of ab initio potential energy curves obtained from Contracted Configuration Interaction calculations based on Complete Active Space SCF wavefunctions. The photoactive excited states responsible for the photoelimination of molecular hydrogen in H2Fe(CO)4, the loss of a carbonyl ligand and the homolysis of the metal-hydrogen bond in HMn(CO)5 will be specified as well as the corresponding reaction paths. The mechanism of the double photochemistry of HMn(CO)5 will be compared to the photoreactivity of HCo(CO)4. © 1990.
引用
收藏
页码:141 / 154
页数:14
相关论文
共 24 条
[1]
SYNTHESIS AND CHARACTERIZATION OF THE PENTACARBONYLMANGANESE(O) RADICAL, MN(CO)5, IN LOW-TEMPERATURE MATRICES
CHURCH, SP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
CHURCH, SP
POLIAKOFF, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
POLIAKOFF, M
TIMNEY, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
TIMNEY, JA
TURNER, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
TURNER, JJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(25)
: 7515
-
7520
[2]
PHOTOCHEMISTRY OF MATRIX-ISOLATED HMN(CO)5 - EVIDENCE FOR 2 ISOMERS OF HMN(CO)4
CHURCH, SP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
CHURCH, SP
POLIAKOFF, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
POLIAKOFF, M
TIMNEY, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
TIMNEY, JA
TURNER, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
TURNER, JJ
[J].
INORGANIC CHEMISTRY,
1983,
22
(22)
: 3259
-
3266
[3]
THEORETICAL ASPECTS OF THE PHOTOCHEMISTRY OF ORGANOMETALLICS .3. POTENTIAL-ENERGY CURVES FOR THE PHOTODISSOCIATION OF FE(CO)5
DANIEL, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
DANIEL, C
BENARD, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
BENARD, M
DEDIEU, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
DEDIEU, A
WIEST, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
WIEST, R
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
VEILLARD, A
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1984,
88
(21)
: 4805
-
4811
[4]
DANIEL C, 1985, NOUV J CHIM, V9, P581
[5]
DANIEL C, 1986, NEW J CHEM, V10, P83
[6]
DANIEL C, UNPUB
[7]
INFRARED-LASER INDUCED ISOMERIZATION OF FE(CO)4 - 1ST NON-BERRY PSEUDOROTATION
论文数:
引用数:
h-index:
机构:
DAVIES, B
MCNEISH, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
MCNEISH, A
POLIAKOFF, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
POLIAKOFF, M
TURNER, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
TURNER, JJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(23)
: 7573
-
7579
[8]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
: 1293
-
&
[9]
HUZINAGA S, 1971, APPROXIMATE ATOMIC F, P44106
[10]
HYLAKRYSPIN I, UNPUB
←
1
2
3
→
共 24 条
[1]
SYNTHESIS AND CHARACTERIZATION OF THE PENTACARBONYLMANGANESE(O) RADICAL, MN(CO)5, IN LOW-TEMPERATURE MATRICES
CHURCH, SP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
CHURCH, SP
POLIAKOFF, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
POLIAKOFF, M
TIMNEY, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
TIMNEY, JA
TURNER, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
TURNER, JJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(25)
: 7515
-
7520
[2]
PHOTOCHEMISTRY OF MATRIX-ISOLATED HMN(CO)5 - EVIDENCE FOR 2 ISOMERS OF HMN(CO)4
CHURCH, SP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
CHURCH, SP
POLIAKOFF, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
POLIAKOFF, M
TIMNEY, JA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
TIMNEY, JA
TURNER, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
TURNER, JJ
[J].
INORGANIC CHEMISTRY,
1983,
22
(22)
: 3259
-
3266
[3]
THEORETICAL ASPECTS OF THE PHOTOCHEMISTRY OF ORGANOMETALLICS .3. POTENTIAL-ENERGY CURVES FOR THE PHOTODISSOCIATION OF FE(CO)5
DANIEL, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
DANIEL, C
BENARD, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
BENARD, M
DEDIEU, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
DEDIEU, A
WIEST, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
WIEST, R
VEILLARD, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,ER 139,F-67070 STRASBOURG,FRANCE
VEILLARD, A
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1984,
88
(21)
: 4805
-
4811
[4]
DANIEL C, 1985, NOUV J CHIM, V9, P581
[5]
DANIEL C, 1986, NEW J CHEM, V10, P83
[6]
DANIEL C, UNPUB
[7]
INFRARED-LASER INDUCED ISOMERIZATION OF FE(CO)4 - 1ST NON-BERRY PSEUDOROTATION
论文数:
引用数:
h-index:
机构:
DAVIES, B
MCNEISH, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
MCNEISH, A
POLIAKOFF, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
POLIAKOFF, M
TURNER, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
UNIV NEWCASTLE UPON TYNE,DEPT INORGAN CHEM,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
TURNER, JJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(23)
: 7573
-
7579
[8]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(04)
: 1293
-
&
[9]
HUZINAGA S, 1971, APPROXIMATE ATOMIC F, P44106
[10]
HYLAKRYSPIN I, UNPUB
←
1
2
3
→