Pseudorotation in tetrahydrofuran•••HF heterodimer

被引：13

作者：

Alonso, JL ^{[1
]}

López, JC ^{[1
]}

Blanco, S ^{[1
]}

Lesarri, A ^{[1
]}

Lorenzo, FJ ^{[1
]}

机构：

[1] Univ Valladolid, Fac Ciencias, Dept Quim Fis, E-47005 Valladolid, Spain

来源：

JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 07期

关键词：

D O I：

10.1063/1.1305863

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：

Seven isotopomers of the hydrogen-bonded heterodimer tetrahydrofuran ... HF have been investigated in the frequency range 6-18 GHz using molecular-beam Fourier transform microwave spectroscopy. The rotational spectra of C(4)H(8)O ... HF and C(4)H(8)O ... DF exhibit small tunneling splittings, which were not observed for C(4)D(8)O ... HF and the four single (13)C isotopomers. These observations analyzed in terms of symmetry considerations allow us to conclude that these splittings are due to pseudorotation within the tetrahydrofuran subunit of the complex and not to HF inversion. The spectroscopic parameters of the complex have been interpreted in terms of a geometry in which tetrahydrofuran has a conformation close to the twisted ring form, with HF lying on the plane bisector to the COC ring angle. (C) 2000 American Institute of Physics. [S0021-9606(00)00331-7].

引用

页码：2760 / 2767

页数：8

共 24 条

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