Now showing items 1-3 of 3
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 ...
Targeting the rich conformational landscape of N-allylmethylamine using rotational spectroscopy and quantum mechanical calculations
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 ...