CONFORMATIONAL EQUILIBRIUM IN (CYCLOPROPYLMETHYL)ACETYLENE - A MICROWAVE SPECTROSCOPY AND AB-INITIO CALCULATION STUDY

被引：21

作者：

CAMINATI, W

DANIELI, R

DAKKOURI, M

BITSCHENAUER, R

机构：

[1] UNIV ULM,ELEKTROCHEM ABT,D-89069 ULM,GERMANY

[2] UNIV BOLOGNA,DIPARTIMENTO CHIM G CIAMICIAN,I-40126 BOLOGNA,ITALY

[3] CNR,INST SPETTROSCOPIA MOLEC,I-40126 BOLOGNA,ITALY

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1995年 / 99卷 / 07期

关键词：

D O I：

10.1021/j100007a013

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 spectrum of (cyclopropylmethyl)acetylene (a newly prepared compound) was investigated in the frequency range 28-40 GHz. Both gauche and cis conformers were observed, the latter being 64 +/- 30 cm(-1) lower in energy. The geometries of these conformers were obtained combining the ab initio and cm microwave spectroscopy results. A large-amplitude motion (the methylacetylene group torsion) was studied by assigning the rotational spectra of several torsionally excited states.

引用

页码：1867 / 1872

页数：6

共 28 条

[1]

[Anonymous], 1977, VIBRATIONAL SPECTRA

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