TITLE

The hydrogen-bonded heterodimer between methylene cyclobutane and hydrogen chloride: Observation of an endo conformer

AUTHOR(S)
Lesarri, Alberto; Blanco, Susana; Lo´pez, Juan C.; Alonso, Jose´ L.
PUB. DATE
March 2002
SOURCE
Journal of Chemical Physics;3/8/2002, Vol. 116 Issue 10, p4116
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The formation of a hydrogen bond between methylene cyclobutane and hydrogen chloride has been investigated in the region 8–18 GHz using molecular-beam Fourier transform microwave spectroscopy. The rotational spectrum of an endo conformer in which methylene cyclobutane retains a puckered conformation and HCl is bonded in T-shape to the methylenic group has been observed. Searches for the exo form using Ar, Ne or He as carrier gases were unsuccessful. A C[sub s] symmetry r[sub 0]-like structure has been obtained for this conformer from the rotational data of three observed isotopomers (C[sub 5]H[sub 8]...H[sup 35]Cl, C[sub 5]H[sub 8]...H[sup 37]Cl, and C[sub 5]H[sub 8]...DCl). Ab initio calculations at MP2/6-311+G(d,p) level have been used to complement the analysis. These calculations predict the existence of both endo and exo conformers close in energy. © 2002 American Institute of Physics.
ACCESSION #
6270636

 

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