Far Infrared Spectra Of The Haloacetyl Halides

J. R. Durig; Wenyun Zhao; H. V. Phan; T. S. Little

doi:10.1117/12.969565

1 December 1989 Far Infrared Spectra Of The Haloacetyl Halides

J. R. Durig, Wenyun Zhao, H. V. Phan, T. S. Little

Proceedings Volume 1145, 7th Intl Conf on Fourier Transform Spectroscopy; (1989) https://doi.org/10.1117/12.969565
Event: Seventh International Conference on Fourier and Computerized Infrared Spectroscopy, 1989, Fairfax, VA, United States

Abstract

The far infrared spectra (350 to 35 cm-1) of a series of haloacetyl halides, CH2XCY0, in the vapor phase have been recorded at a resolution of 0.10 cm-1. The fundamental asymmetric torsional frequencies of the more stable trans (two halogen atoms oriented trans to one another) and high energy conformers have been observed and the asymmetric torsional potential functions governing internal rotation about the C-C bond have been determined. The conformation of the high energy rotamer is cis or gauche depending on the size and position of the substituted halogen. Ab initio calculations at the 3-21G, 3-21G* and 6-31G* basis set levels of the optimized geometries, potential surfaces and vibrational frequencies are used to support the conclusions made from the experimental results.

Citation Download Citation

J. R. Durig, Wenyun Zhao, H. V. Phan, and T. S. Little "Far Infrared Spectra Of The Haloacetyl Halides", Proc. SPIE 1145, 7th Intl Conf on Fourier Transform Spectroscopy, (1 December 1989); https://doi.org/10.1117/12.969565

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available