Search
Now showing items 1-9 of 9
Microwave Spectroscopic Investigation and Structural Determination of the Ar–Difluoropyridine van der Waals
(The Journal of Physical Chemistry A, 2014-08-21)
The ground state rotational spectra of the van der Waals dimers of 2,3-, 2,4-, 2,5-, 2,6-, and 3,5-difluoropyridine with argon were investigated in the range of 4 to 26 GHz using both Fourier transform microwave (FTMW) and ...
Synchrotron-based far infrared study of the rotation-vibration-inversion spectrum of silacyclobutane below 500 cm-1: The ν29 and ν30 bands
(Journal of Chemical Physics, 2013-12-26)
Fourier transform spectra of the four-membered heterocycle silacyclobutane (c-C3H8Si) were recorded in the far infrared region from 100-500 cm-1 with a maximum resolution of 0.000959 cm-1 using synchrotron radiation from ...
Isothiocyanato-Containing Carbon Chains: The Laboratory Detection of HCCCCNCS and NCCCNCS via Rotational Spectroscopy
(The Journal of Physical Chemistry A, 2018-08-30)
Two new NCS-containing carbon chains of potential astronomical interest, HC4NCS and NC3NCS, were produced through dc electric discharge in a molecular beam and detected by Fourier transform microwave spectroscopy. Rotational ...
Investigation of Structural Trends in Mono-, Di-, and Pentafluorobenzonitriles Using Fourier Transform Microwave Spectroscopy
(The Journal of Physical Chemistry A, 2015-09-25)
The ground state rotational spectra of a series of fluorinated benzonitriles (BN), namely: 2-fluorobenzonitrile (2FBN), 3-fluorobenzonitrile (3FBN), 2,3-difluorobenzonitrile (23DFBN), 2,4-difluorobenzonitrile (24DFBN) and ...
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 ...
Sulfur as a hydrogen bond donor in the gas phase: Rotational spectroscopic and computational study of 3-mercaptopropionic acid
(Journal of Molecular Spectroscopy, 2019-05-29)
Rotational spectra of 3-mercaptopropionic acid (3-mpa) were measured from 6 to 18 GHz using chirped pulse and cavity-based Fourier transform microwave (FTMW) spectroscopy. Theoretical calculations using the B3LYP-D3BJ and ...
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 ...
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 ...