THE HARMONIC FORCE-FIELD FOR PF5 FROM ABINITIO CALCULATIONS AND EXPERIMENTAL-DATA - COMPARISONS WITH SIF4, PF3, AND SF6

被引：22

作者：

MARSDEN, CJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 11期

关键词：

D O I：

10.1063/1.453448

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：6626 / 6634

页数：9

共 44 条

[1] ON VIBRATIONAL ASSIGNMENTS IN PENTACOORDINATED MOLECULES AND GILLESPIE-NYHOLM THEORY [J].

BARTELL, LS .

INORGANIC CHEMISTRY, 1970, 9 (06) :1594-&

[2] PSEUDOPOTENTIAL SCF-MO STUDIES OF HYPERVALENT COMPOUNDS .4. STRUCTURE, VIBRATIONAL ASSIGNMENTS, AND INTRAMOLECULAR FORCES IN IF7 [J].

BARTELL, LS ;

ROTHMAN, MJ ;

GAVEZZOTTI, A .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (08) :4136-4143

[3] STRUCTURES OF HEXACOORDINATE COMPOUNDS OF MAIN-GROUP ELEMENTS .3. ELECTRON-DIFFRACTION STUDY OF SF6 [J].

BARTELL, LS ;

DOUN, SK .

JOURNAL OF MOLECULAR STRUCTURE, 1978, 43 (02) :245-249

[4] GILLESPIE-NYHOLM ASPECTS OF FORCE FIELDS .1. POINTS ON A SPHERE AND EXTENDED HUCKEL MOLECULAR-ORBITAL ANALYSES OF TRIGONAL BIPYRAMIDS [J].

BARTELL, LS ;

PLATO, V .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (10) :3097-3104

[5] VALENCE-SHELL ELECTRON-PAIR REPULSIONS - A QUANTUM TEST OF A NAIVE MECHANICAL MODEL [J].

BARTELL, LS ;

BARSHAD, YZ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (25) :7700-7703

[6] SI-F LENGTH IN SIF4 - NEW ELECTRON-DIFFRACTION STUDY [J].

BEAGLEY, B ;

BROWN, DP ;

FREEMAN, JM .

JOURNAL OF MOLECULAR STRUCTURE, 1973, 18 (02) :337-338

[7] CORRELATION OF RATES OF INTRAMOLECULAR TUNNELING PROCESSES, WITH APPLICATION TO SOME GROUP-V COMPOUNDS [J].

BERRY, RS .

JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (03) :933-938

[8] GENERALIZED MEAN-SQUARE AMPLITUDES OF VIBRATION MEAN AMPLITUDES OF VIBRATION AND SHRINKAGE EFFECTS OF SOME TRIGONAL BIPYRAMIDAL XY5 AND XY3Z2 MOLECULES [J].

BRUNVOLL, J .

ACTA CHEMICA SCANDINAVICA, 1967, 21 (02) :473-&

[9] VIBRATIONAL ANALYSIS AND ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF THE MOLECULAR-FORCE CONSTANTS OF GASEOUS CF4 AND SIF4 [J].

CURTISS, LA ;

MARONI, VA .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1985, 41 (04) :585-593

[10] ANALYSIS OF THE FOURIER-TRANSFORM SPECTRUM OF PF5 AROUND 946 CM-1 [J].

DANA, V ;

BORDE, J ;

HENRY, L ;

VALENTIN, A .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1985, 114 (01) :42-48

← 1 2 3 4 5 →