RESULTS OBTAINED FROM THE ANALYSIS OF THE MICROWAVE-SPECTRUM OF AND AB-INITIO CALCULATIONS ON PHENYLGERMANE

被引：1

作者：

CAMINATI, W ^{[1
]}

DAMIANI, D ^{[1
]}

DAKKOURI, M ^{[1
]}

ZEEB, S ^{[1
]}

机构：

[1] UNIV ULM,PHYS CHEM ABT,W-7900 ULM,GERMANY

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1993年 / 296卷 / 1-2期

关键词：

D O I：

10.1016/0022-2860(93)80120-K

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：

The microwave spectra of four isotopomers of phenylgermane were investigated in the frequency range 12.4-26.5 GHz. Only the ground state spectra (emj = 0) were assigned. The rotational constants (A) obtained have values which correspond to contributions only from the frame. At the same time, the inertial defects have nearly zero values. These are typical features of a nearly free six-fold barrier to internal rotation. A plausible structure, based on 4-21G* ab initio calculations, was obtained.

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页码：79 / 84

页数：6

相关论文

共 28 条

[1] MICROWAVE-SPECTRUM OF THE C-13-RING-MONOSUBSTITUTED TOLUENES AND STRUCTURE OF TOLUENE [J].

AMIREBRAHIMI, V ;

CHOPLIN, A ;

DEMAISON, J ;

ROUSSY, G .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1981, 89 (01) :42-52

[2] INTERNAL-ROTATION BARRIER AND DIPOLE-MOMENT OF PHENYLSILANE BY MICROWAVE SPECTROSCOPY [J].

CAMINATI, W ;

CAZZOLI, G ;

MIRRI, AM .

CHEMICAL PHYSICS LETTERS, 1975, 35 (04) :475-478

[3] INVESTIGATION OF THE MOLECULAR-STRUCTURE OF CATECHOL BY COMBINED MICROWAVE SPECTROSCOPY AND ABINITIO CALCULATIONS [J].

CAMINATI, W ;

DIBERNARDO, S ;

SCHAFER, L ;

KULPNEWTON, SQ ;

SIAM, K .

JOURNAL OF MOLECULAR STRUCTURE, 1990, 240 :263-274

[4] MICROWAVE-SPECTRA OF ALPHA-D3-PHENYSILANE AND SI-29-PHENYLSILANE ISOTOPIC-SPECIES [J].

CAMINATI, W ;

CAZZOLI, G .

CHEMICAL PHYSICS LETTERS, 1976, 38 (02) :218-221

[5]

CAZZOLI G, 1982, J MOL SPECTROSC, V96, P43

[6]

CSAKVARI E, 1990, J MOL STRUCT, V239, P219

[7] EXPERIMENTAL AND THEORETICAL INVESTIGATION OF THE MOLECULAR-STRUCTURE OF CYCLOPROPYLGERMANE [J].

DAKKOURI, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (19) :7109-7114

[8] MOLECULAR-ORBITAL THEORY OF THE PROPERTIES OF INORGANIC AND ORGANOMETALLIC COMPOUNDS 4 - EXTENDED BASIS-SETS FOR 3RD-ROW AND 4TH-ROW, MAIN-GROUP ELEMENTS [J].

DOBBS, KD ;

HEHRE, WJ .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (03) :359-378

[9] MOLECULAR-GEOMETRY OF SUBSTITUTED BENZENE-DERIVATIVES .4. ANALYSIS OF VARIANCE IN MONOSUBSTITUTED BENZENE RINGS [J].

DOMENICANO, A ;

MURRAYRUST, P ;

VACIAGO, A .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1983, 39 (AUG) :457-468

[10] SPECTRA AND STRUCTURE OF ORGANOGERMANES .17. MICROWAVE-SPECTRUM, STRUCTURE, DIPOLE-MOMENT, AND INTERNAL ROTATIONAL BARRIER OF VINYLGERMANE [J].

DURIG, JR ;

KIZER, KL ;

LI, YS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (24) :7400-7404