STRUCTURE AND VIBRATIONS OF THE PHENOL-AMMONIA CLUSTER

被引：53

作者：

SCHIEFKE, A ^{[1
]}

DEUSEN, C ^{[1
]}

JACOBY, C ^{[1
]}

GERHARDS, M ^{[1
]}

SCHMITT, M ^{[1
]}

KLEINERMANNS, K ^{[1
]}

HERING, P ^{[1
]}

机构：

[1] UNIV DUSSELDORF,INST PHYS CHEM & ELEKTROCHEM 1,D-40225 DUSSELDORF,GERMANY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 102卷 / 23期

关键词：

D O I：

10.1063/1.468869

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 phenol-ammonia 1:1 complex has been investigated by mass resolved hole burning spectroscopy and ab initio methods at the HF/6-31G(d,p) and HF/6-31++G(d,p) levels of theory. By means of spectral hole burning four bands in the region of intermolecular vibrations could be assigned to the 1:1 complex. The ab initio computed cluster structure and its normal vibrations are reported and compared to the experimental results. Anharmonic calculations were carried out for the ammonia torsion. The results are compared to structurally related complexes. © 1995 American Institute of Physics.

引用

页码：9197 / 9204

页数：8

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