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CONFORMATIONAL PREFERENCES IN METHYLSILANE AND DISILANE - QUANTITATIVE NON-EMPIRICAL ANALYSIS OF THE IMPORTANCE OF THE HYPERCONJUGATIVE INTERACTIONS
被引:10
作者
:
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORG,TORINO,ITALY
IST CHIM ORG,TORINO,ITALY
BERNARDI, F
[
1
]
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM ORG,TORINO,ITALY
IST CHIM ORG,TORINO,ITALY
BOTTONI, A
[
1
]
机构
:
[1]
IST CHIM ORG,TORINO,ITALY
来源
:
THEORETICA CHIMICA ACTA
|
1979年
/ 52卷
/ 01期
关键词
:
Conformational preferences;
Disilane;
Hyperconjugative interactions;
Methylsilane;
D O I
:
10.1007/BF00581699
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
:
We have investigated the importance of the hyperconjugative interactions in determining the conformational preferences in methylsilane and disilane, and for comparative purposes also in ethane, using a procedure that provides quantitative information about the energy effects associated with orbital interactions. It is found that (1) these interactions are in all cases destabilizing and less destabilizing in the staggered conformation and that (2) in the absence of these interactions, in ethane the staggered conformer is still more stable, while in methylsilane and disilane the eclipsed conformer becomes more stable. We have also investigated the effects of each type of orbital interaction in terms of a quantitative perturbational analysis. © 1979 Springer-Verlag.
引用
收藏
页码:37 / 43
页数:7
相关论文
共 11 条
[1]
QUANTITATIVE NON-EMPIRICAL ESTIMATES OF EFFECTS OF ORBITAL INTERACTIONS - APPLICATIONS TO DIFLUOROETHYLENES
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
CNR COMPOSTI CARBONIO LAB,OZZANO EMILIA,ITALY
BERNARDI, F
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
CNR COMPOSTI CARBONIO LAB,OZZANO EMILIA,ITALY
BOTTONI, A
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
机构:
CNR COMPOSTI CARBONIO LAB,OZZANO EMILIA,ITALY
EPIOTIS, ND
GUERRA, M
论文数:
0
引用数:
0
h-index:
0
机构:
CNR COMPOSTI CARBONIO LAB,OZZANO EMILIA,ITALY
GUERRA, M
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(19)
: 6018
-
6022
[2]
BERNARDI F, UNPUBLISHED
[3]
MICROWAVE SPECTRUM AND STRUCTURE OF GERMYL SILANE
COX, AP
论文数:
0
引用数:
0
h-index:
0
COX, AP
VARMA, R
论文数:
0
引用数:
0
h-index:
0
VARMA, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(05)
: 2007
-
&
[4]
HEHRE WJ, 236 IND U QUANT CHEM
[5]
CALCULATION OF ENERGY LEVELS FOR INTERNAL TORSION AND OVER-ALL ROTATION .3.
HERSCHBACH, DR
论文数:
0
引用数:
0
h-index:
0
HERSCHBACH, DR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1959,
31
(01)
: 91
-
108
[6]
AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(06)
: 1397
-
&
[7]
BARRIER TO INTERNAL-ROTATION IN ETHANE
LOWE, JP
论文数:
0
引用数:
0
h-index:
0
机构:
PENN STATE UNIV,UNIVERSITY PK,PA 16802
PENN STATE UNIV,UNIVERSITY PK,PA 16802
LOWE, JP
[J].
SCIENCE,
1973,
179
(4073)
: 527
-
532
[8]
A SIMPLE MOLECULAR ORBITAL EXPLANATION FOR BARRIER TO INTERNAL ROTATION IN ETHANE AND OTHER MOLECULES
LOWE, JP
论文数:
0
引用数:
0
h-index:
0
LOWE, JP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(12)
: 3799
-
&
[9]
DIRECT OBSERVATION OF INFRARED TORSIONAL SPECTRUM OF C2H6 CH3CD3 AND C2D6
WEISS, S
论文数:
0
引用数:
0
h-index:
0
WEISS, S
LEROI, GE
论文数:
0
引用数:
0
h-index:
0
LEROI, GE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(03)
: 962
-
&
[10]
MOLECULAR-ORBITALS FROM GROUP ORBITALS .3. QUANTITATIVE PERTURBATIONAL MOLECULAR-ORBITAL ANALYSIS OF ABINITIO SCF-MO WAVE-FUNCTIONS
WHANGBO, MH
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
WHANGBO, MH
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
SCHLEGEL, HB
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
WOLFE, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(05)
: 1296
-
1304
←
1
2
→
共 11 条
[1]
QUANTITATIVE NON-EMPIRICAL ESTIMATES OF EFFECTS OF ORBITAL INTERACTIONS - APPLICATIONS TO DIFLUOROETHYLENES
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
CNR COMPOSTI CARBONIO LAB,OZZANO EMILIA,ITALY
BERNARDI, F
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
CNR COMPOSTI CARBONIO LAB,OZZANO EMILIA,ITALY
BOTTONI, A
EPIOTIS, ND
论文数:
0
引用数:
0
h-index:
0
机构:
CNR COMPOSTI CARBONIO LAB,OZZANO EMILIA,ITALY
EPIOTIS, ND
GUERRA, M
论文数:
0
引用数:
0
h-index:
0
机构:
CNR COMPOSTI CARBONIO LAB,OZZANO EMILIA,ITALY
GUERRA, M
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(19)
: 6018
-
6022
[2]
BERNARDI F, UNPUBLISHED
[3]
MICROWAVE SPECTRUM AND STRUCTURE OF GERMYL SILANE
COX, AP
论文数:
0
引用数:
0
h-index:
0
COX, AP
VARMA, R
论文数:
0
引用数:
0
h-index:
0
VARMA, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
46
(05)
: 2007
-
&
[4]
HEHRE WJ, 236 IND U QUANT CHEM
[5]
CALCULATION OF ENERGY LEVELS FOR INTERNAL TORSION AND OVER-ALL ROTATION .3.
HERSCHBACH, DR
论文数:
0
引用数:
0
h-index:
0
HERSCHBACH, DR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1959,
31
(01)
: 91
-
108
[6]
AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(06)
: 1397
-
&
[7]
BARRIER TO INTERNAL-ROTATION IN ETHANE
LOWE, JP
论文数:
0
引用数:
0
h-index:
0
机构:
PENN STATE UNIV,UNIVERSITY PK,PA 16802
PENN STATE UNIV,UNIVERSITY PK,PA 16802
LOWE, JP
[J].
SCIENCE,
1973,
179
(4073)
: 527
-
532
[8]
A SIMPLE MOLECULAR ORBITAL EXPLANATION FOR BARRIER TO INTERNAL ROTATION IN ETHANE AND OTHER MOLECULES
LOWE, JP
论文数:
0
引用数:
0
h-index:
0
LOWE, JP
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(12)
: 3799
-
&
[9]
DIRECT OBSERVATION OF INFRARED TORSIONAL SPECTRUM OF C2H6 CH3CD3 AND C2D6
WEISS, S
论文数:
0
引用数:
0
h-index:
0
WEISS, S
LEROI, GE
论文数:
0
引用数:
0
h-index:
0
LEROI, GE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(03)
: 962
-
&
[10]
MOLECULAR-ORBITALS FROM GROUP ORBITALS .3. QUANTITATIVE PERTURBATIONAL MOLECULAR-ORBITAL ANALYSIS OF ABINITIO SCF-MO WAVE-FUNCTIONS
WHANGBO, MH
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
WHANGBO, MH
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
SCHLEGEL, HB
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA
WOLFE, S
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(05)
: 1296
-
1304
←
1
2
→