Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
102 (1995), S. 9197-9204
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.468869
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