Fourier transform microwave study on 2-methyloxetane and 3-methyloxetane

被引:14
作者
Alonso, JL
Lesarri, A
Mata, S
Lopez, JC
Grabow, JU
Dreizler, H
机构
[1] Depto. de Quim. Física, Facultad de Ciencias, Universidad de Valladolid
[2] Inst. fur Phys. Chem. der Univ. Kiel, D-24098 Kiel
关键词
D O I
10.1016/0301-0104(96)00090-0
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 rotational spectra of 2-methyloxetane and 3-methyloxetane have been reinvestigated using Fourier transform microwave spectroscopy (FTMW). A,E splittings due to internal rotation of the methyl group have been observed in the ground and several ring-puckering and methyl torsion excited states for both molecules. Internal rotation barriers of V-3 = 3.332(14) kcal mol(-1) (13.941(58) kJ mol(-1)) for 2-methyloxetane and V-3 = 3.284(12) kcal mol(-1) (13.740(50) kJ mol(-1)) for 3-methyloxetane have been determined from the ground vibrational state spectra. Furthermore, the rotational, quartic and some higher-order centrifugal distortion constants are reported. The experimental set-up of a waveguide Fourier transform microwave spectrometer is also presented.
引用
收藏
页码:391 / 401
页数:11
相关论文
共 27 条
[21]   DISTORTIONS IN POWER SPECTRA [J].
MERKE, I ;
DREIZLER, H .
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1988, 43 (03) :196-202
[22]   THE BARRIER TO INTERNAL-ROTATION IN 3-METHYLCYCLOPENT-2-ENONE BY MICROWAVE SPECTROSCOPY [J].
PELAEZ, FJ ;
LOPEZ, JC ;
ALONSO, JL .
JOURNAL OF MOLECULAR STRUCTURE, 1987, 159 (1-2) :19-29
[23]  
SCAPPINI F, 1981, Z NATURFORSCH A, V36, P1327
[24]   VIBRATIONAL-SPECTRA AND SCALED 3-21G ABINITIO HARMONIC FORCE-FIELD FOR 2-METHYLOXETANE AND SEVERAL DEUTERATED ISOTOPOMERS [J].
SHAW, RA ;
IBRAHIM, N ;
WIESER, H .
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (10) :3920-3928
[25]  
Watson J. K. G., 1977, Vibrational Spectra and Structure, P1