ABINITIO SELF-CONSISTENT FIELD CALCULATIONS ON I2-NH3 AND HI-NH3 - THE CLASSIC CHARGE-TRANSFER INTERACTION, AN EXAMPLE OF GAS-PHASE PROTON-TRANSFER, AND THE DUALITY OF LEWIS ACID SITES ON HI

被引：28

作者：

KOLLMAN, P ^{[1
]}

DEARING, A ^{[1
]}

KOCHANSKI, E ^{[1
]}

机构：

[1] UNIV STRASBOURG 1,DEPT CHEM,F-67070 STRASBOURG,FRANCE

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 09期

关键词：

D O I：

10.1021/j100206a026

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：

引用

页码：1607 / 1610

页数：4

共 24 条

[1] MATRIX-ISOLATION STUDIES OF HYDROGEN-BONDING - VIBRATIONAL CORRELATION DIAGRAM [J].

AULT, BS ;

STEINBACK, E ;

PIMENTEL, GC .

JOURNAL OF PHYSICAL CHEMISTRY, 1975, 79 (06) :615-620

[2] SCALE OF ACIDITIES IN THE GAS-PHASE FROM METHANOL TO PHENOL [J].

BARTMESS, JE ;

SCOTT, JA ;

MCIVER, RT .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (20) :6046-6056

[3] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .6. CHARGE-TRANSFER MECHANISM FOR NH3+HCL[--]NH4CL REACTION [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (07) :2323-&

[4] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .2. WAVEFUNCTIONS FOR NH3+HCL-]NH4CL REACTION [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3851-&

[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[6] TRIMETHYLAMINE-SO2, PROTOTYPE STRONG CHARGE-TRANSFER COMPLEX [J].

DOUGLAS, JE ;

KOLLMAN, PA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (16) :5226-5227

[7]

HAYES DM, 1979, CATALYSIS CHEM BIOCH, P77

[8] APPLICATION OF FUNCTIONAL BOYS BERNARDI COUNTERPOISE METHOD TO MOLECULAR POTENTIAL SURFACES [J].

JOHANSSON, A ;

KOLLMAN, P ;

ROTHENBERG, S .

THEORETICA CHIMICA ACTA, 1973, 29 (02) :167-172

[9]

KOCHANSKI E, 1980, NOUV J CHIM, V4, P509

[10] GENERAL ANALYSIS OF NONCOVALENT INTERMOLECULAR INTERACTIONS [J].

KOLLMAN, P .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4875-4894

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