Changes at the Iodine Nucleus in 1-iodopropane when One Hydrogen at the Carbon-3 Position Is Replaced by Fluorine
Pure rotational spectra pertaining to 1-fluoro-3-iodopropane have been recorded using a Search Accelerated Correct Intensity Fourier Transform Microwave Spectrometer. Two conformers were observed and a total of 148 transitions recorded between 8 and 12 GHz. the complete iodine quadrupole coupling tensor has been determined for both observed conformers of 1-fluoro-3-iodopropane and are compared to those values for 1-iodopropane. Quantum chemical calculations were performed on the title molecule which greatly facilitated the spectral assignments and analyses.
G. S. Grubbs et al., "Changes at the Iodine Nucleus in 1-iodopropane when One Hydrogen at the Carbon-3 Position Is Replaced by Fluorine," Chemical Physics Letters, vol. 447, no. 1-3, pp. 37-40, Elsevier, Jan 2009.
The definitive version is available at https://doi.org/10.1016/j.cplett.2009.06.059
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