Now showing items 21-25 of 25
Rotational Spectra and Structures of the van der Waals Dimers of Argon with 2-Fluoropyridine and 3-Fluoropyridine
(The Journal of Physical Chemistry A, 2013-08-14)
The ground state rotational spectra of the van der Waals dimers of 2-fluoropyridine and 3-fluoropyridine with argon have been investigated using both Fourier transform microwave (FTMW) and chirped pulse Fourier transform ...
Rotational spectrum and quantum chemical calculations of methyl cyanoacetate: A compound of potential astrochemical interest
(Journal of Molecular Spectroscopy, 2021-03-17)
The rotational spectrum of methyl cyanoacetate (H3CO(CO)CH2CN) was investigated for the first time using Fourier transform microwave spectroscopy in the 6–19 GHz range. The observed spectral pattern is that of a single, ...
Exploring the non-covalent interactions behind the formation of amine–water complexes: The case of the N-allylmethylamine monohydrate
(Physical Chemistry Chemical Physics, 2021-03-18)
The conformational landscape of the monohydrated complex of N-allylmethylamine (AMA–w) was investigated for the first time using rotational spectroscopy from 8–20 GHz and quantum chemistry calculations. From a total of ...
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. ...
Rotational spectra and conformer geometries of 2-fluorophenol and 3-fluorophenol
(Journal of Molecular Spectroscopy, 2016-11-16)
The ground states of 2-fluorophenol (2FPh) and 3-fluorophenol (3FPh) and their 13C isotopologues were investigated using Fourier transform microwave (FTMW) spectroscopy in the range of 6–26GHz. Two planar conformers were ...