Dramatic differences in the conformational equilibria of chalcogen-bridged compounds: the case of diallyl ether versus diallyl sulfide

T Poonia, WGDP Silva… - Physical Chemistry …, 2022 - pubs.rsc.org
The conformational landscapes of diallyl ether (DAE) and diallyl sulfide (DAS) were
investigated for the first time using rotational spectroscopy from 6–20 GHz supported by …

Exploring the distinct conformational preferences of allyl ethyl ether and allyl ethyl sulfide using rotational spectroscopy and computational chemistry

T Poonia, J van Wijngaarden - The Journal of Chemical Physics, 2023 - pubs.aip.org
The conformational energy landscapes of allyl ethyl ether (AEE) and allyl ethyl sulfide (AES)
were investigated using Fourier transform microwave spectroscopy in the frequency range of …

Hyperfine-resolved spectra of HDS together with a global ro-vibrational analysis

M Melosso, N Jiang, J Gauss… - The Journal of Chemical …, 2023 - pubs.aip.org
Despite their chemical simplicity, the spectroscopic investigation of light hydrides, such as
hydrogen sulfide, is challenging due to strong hyperfine interactions and/or anomalous …

Conformational landscape, internal dynamics, and non-covalent interactions of flexible molecular systems by rotational spectroscopy and quantum chemistry …

WG Dias de Paiva Silva - 2021 - mspace.lib.umanitoba.ca
Non-covalent interactions govern the three-dimensional structures of molecules and are
thus central to their function, reactivity, and spectroscopic fingerprints, but despite this pivotal …