Changes at the iodine nucleus in 1-iodopropane when one hydrogen at the carbon-3 position is replaced by fluorine

摘要

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.