Non-covalent Interaction of Heteroaromatic:Rotational Spectroscopy of the Thiazole-Formic Acid Complex
The characteristics of non-covalent linkages be-tween thiazole and formic acid were explored by pulsed jet Fourier transform microwave spec-troscopy supplemented with quantum chemical cal-culations.Rotational fingerprints of the thiazole…HCOOH and thiazole…HCOOD species were suc-cessfully measured in the supersonic expansion,both exhibiting 14N quadrupole coupling hyperfine structure.The observed conformation has Cs sym-metry,controlled by a predominant O-H…N hydro-gen bond and an additional C-H…O hydrogen bond.The property of intermolecular non-covalent interactions emerging in the complex has been ulteriorly elucidated by implementing Johnson's non-covalent interaction analysis and the symmetry adapted perturbation theory analysis.
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