Now showing items 1-3 of 3
A highly flexible molecule: The peculiar case of ethynyl isothiocyanate HCCNCS
(Journal of Chemical Physics, 2018-09-12)
The rotational spectrum of the parent isotopic species of HCCNCS, along with those of three 13C singly substituted variants and one 34S minor isotopologue, has been observed with high resolution using Fourier transform ...
Structural elucidation of 2-fluorothiophenol from Fourier transform microwave spectra and ab initio calculations
(Journal of Molecular Structure, 2017-09-15)
Pure rotational transitions corresponding to the ground vibrational state of 2-fluorothiophenol (2FTPh) were recorded via Fourier transform microwave (FTMW) spectroscopy in the range of 4–26 GHz. The observed transitions ...
Dispersion-driven conformational preference in the gas phase: Microwave spectroscopic and theoretical study of allyl isocyanate
(Journal of Chemical Physics, 2019-11-19)
The conformations of allyl isocyanate (CH2=CHCH2N=C=O) were explored in the gas phase by combining theoretical calculations and Fourier transform microwave spectroscopy, including the chirped pulse and Balle-Flygare types. ...