Microwave structural studies of organoselenium compounds 1. Microwave spectra, molecular structure, and methyl barrier to internal rotation of dimethyl diselenide |
| |
Authors: | Peter Groner Charles W Gillies Ying Zhang |
| |
Institution: | a Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110, USA b Department of Chemistry, Rensselaer Polytechnic Institute, Troy, NY 12180, USA c Department of Chemistry, Siena College, Loudonville, NY 12111, USA d Department of Chemistry, State University of New York at Albany, Albany, NY 12222, USA |
| |
Abstract: | The rotational spectra of nine isotopomers of dimethyl diselenide, CH3SeSeCH3, have been measured with a molecular-beam Fourier transform microwave spectrometer. The spectra were complex due to the presence of many isotopomers in natural abundance and the splitting caused by the interactions with two methyl internal rotors. The spectra were assigned and fit to experimental precision to an effective rotational Hamiltonian for molecules with two periodic internal motions. The spectra of the symmetric isotopomers are consistent with a C2 equilibrium structure. The rotational constants were used to determine the rs structure of the C-Se-Se-C frame with the results r(SeSe)=2.306(3) Å, r(SeC)=1.954(6) Å, ?(CSeSe)=99.8(2)°, ?(CSeSeC)=85.2(1)°. A barrier to internal rotation of the methyl groups of 395 ± 2 cm−1 was derived from the internal rotation splittings. |
| |
Keywords: | Dimethyl diselenide FT-microwave spectrum Internal rotation rs structure |
本文献已被 ScienceDirect 等数据库收录! |
|