|
|
| Type |
Poster Presentation |
| Area |
Physical Chemistry |
| Room No. |
Grand Ballroom |
| Time |
10월 19일 (금요일) 11:00~12:30 |
| Code |
PHYS.P-237 |
| Subject |
Rotational spectra and conformations of 2-bromo-1-butene using Fourier-transform microwave spectroscopy |
| Authors |
Heesu Jang, Rebecca A. Peebles1, Sean A. Peebles1, Jung Jin Oh*
Department of Chemistry, Sookmyung Women's University, Korea
1Department of Chemistry, Eastern Illinois University, United States
|
| Abstract |
Microwave spectra of 2-bromo-1-butene (CH2=CBrCH2CH3) were measured by a chirped-pulse and a resonant cavity Fourier-transform microwave spectrometer. Using GAUSSIAN09, ab initio calculations were performed for all three possible conformations, d(C1C2C3C4) = 0° (trans), 113° (gauche), and 180° (cis). Rotational transitions in the range of 2-19 GHz were assigned for the trans and gauche conformer, and the cis isomer were not observed. Rotational constants, centrifugal distortion constants, and nuclear quadrupole coupling constants were determined for 79Br and 81Br isotopologues of the trans and gauche conformer, respectively. In addition, the principal coordinates of bromine atom for two conformers were determined from the isotopic shifts. Spectroscopic constants and the coordinates are compared with and in good agreement with calculated values.
"본 연구는 환경부 「기후변화특성화대학원사업」의 지원으로 수행되었습니다."
"This work is financially supported by Korea Ministry of Environment(MOE) as 「Graduate School specialized in Climate Change」." |
| E-mail |
jheesu@sookmyung.ac.kr |
|
122nd General Meeting of the KCS