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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 ...
Internal motions and sulfur hydrogen bonding in methyl 3-mercaptoproprionate
(The Journal of Physical Chemistry A, 2019-10-21)
The effect of sulfur hydrogen bonding on the conformational equilibrium of methyl 3 mercaptopropionate was investigated using microwave spectroscopy in a supersonic jet expansion. The two most stable conformers (I and II) ...