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Derivation of an accurate geometry of 2-fluoroaniline from rotational spectroscopy and computational chemistry
(Journal of Molecular Structure, 2020-08-18)
The ground state rotational spectrum of 2-fluoroaniline was investigated using Fourier transform microwave spectroscopy in the 6-19 GHz range. The spectrum reveals hyperfine structure due to the 14N quadrupole moment and ...
Analysis of the Coriolis perturbed rovibrational spectrum of the CO asymmetric stretch and CC symmetric stretch of trimethylene oxide
(Journal of Molecular Spectroscopy, 2020-06-12)
Rotationally-resolved vibrational spectra of trimethylene oxide (c-C3H6O) were recorded using synchrotron radiation from the Canadian Light Source between 400 and 1200 cm−1 with a resolution of 0.000959 cm−1. The dense ...
Targeting the rich conformational landscape of N-allylmethylamine using rotational spectroscopy and quantum mechanical calculations
(ChemPhysChem, 2020-10-03)
The highly variable conformational landscape of N-allylmethylamine (AMA) was investigated using Fourier transform microwave spectroscopy aided by high-level theoretical calculations to understand the energy relationship ...
Conformers of Allyl Isothiocyanate: A Combined Microwave Spectroscopy and Computational Study
(The Journal of Physical Chemistry A, 2020-04-21)
The pure rotational spectrum of allyl isothiocyanate (CH2=CHCH2-NCS) was collected from 4-26 GHz using Fourier transform microwave (FTMW) spectroscopy. Its analysis revealed the presence of two conformers that arise due ...
Investigation of the rotamers of 3-furfural by microwave spectroscopy
(Journal of Molecular Spectroscopy, 2020-09-16)
The rotational spectrum of 3-furfural (3-FF) was investigated using Fourier transform microwave spectroscopy from 6 to 19 GHz in order to examine the rotational isomerism properties of the formyl group relative to the furan ...