Microwave spectrum of 1-bromobutane
| Autor: | Jihyun Kim, Jung Jin Oh, Soohyun Ka, Sean A. Peebles, Heesu Jang, Rebecca A. Peebles, Daniel A. Obenchain |
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| Rok vydání: | 2016 |
| Předmět: |
Quantitative Biology::Biomolecules
Materials science 010304 chemical physics Spectrometer Analytical chemistry Ab initio 010402 general chemistry 7. Clean energy 01 natural sciences Atomic and Molecular Physics and Optics Spectral line 0104 chemical sciences Dipole symbols.namesake Fourier transform Nuclear magnetic resonance Ab initio quantum chemistry methods 0103 physical sciences Quadrupole symbols Physical and Theoretical Chemistry Conformational isomerism Spectroscopy |
| Zdroj: | Journal of Molecular Spectroscopy. 328:50-58 |
| ISSN: | 0022-2852 |
| Popis: | The rotational spectrum of 1-bromobutane has been measured in the range of 8–18 GHz using a 480 MHz bandwidth chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer. 1-bromobutane has five conformers; aa, ag, ga, gg, gg′. Spectra for the 79Br isotopic species and 81Br isotopic species were observed and assigned for the three lowest energy conformers, aa, ga, and gg. Consequentially, the rotational constants, nuclear quadrupole coupling constants, and centrifugal distortion constants were determined and the dipole moment of the aa conformer with 79Br was measured. All the experimental data are in good agreement with the ab initio calculations. |
| Databáze: | OpenAIRE |
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