The rotational spectrum and structure of the hydrogen-bonded dimer formed between methylenecyclopropane and HF
β Scribed by Z. Kisiel; P.W. Fowler; A.C. Legon
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 355 KB
- Volume
- 232
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The hydrogen-bonded dimer between methylenecyclopropane and HF was observed and its rotational spectrum measured with a pulsed-nozzle Fourier-transform microwave spectrometer. Simultaneous analysis of the spectroscopic constants of HF and DF species of the dimer shows that the acid is attached in a T-type configuration to the double bond of methylenecyclopropane in, or near to, the ~ mirror plane that bisects the ring. The tilt of the HF moiety in this plane towards the ring can be included by ascribing a departure from linearity of 12 Β° to the hydrogen bond.
π SIMILAR VOLUMES
The rotational spectrum of aniline-methanol was investigated in the frequency region 3-19 GHz using a pulsed molecular beam Fourier transform microwave spectrometer. Sixty-three measured a- and b-type transitions show a fine structure due to internal rotation of the methyl group. The resulting A and
L~gesulc gaussmn orbItal SCF MO alculat~ons are prcsenlsd for the hldrogcn-bonded complcwr NCCN...HF and NCCN ..HCI. Calculated equrhbnum geometries. hydropn-bond dls>ocwion energies snd selcctrd oncs'lcctron proprrtws XC given to supplement w3ilable e\perlmcnral data. Cbangcs ol clcctron dlstrlbuti