RT info:eu-repo/semantics/article
T1 The Hydrogen Bond and Beyond: Perspectives for Rotational Investigations of Non‐Covalent Interactions
A1 Juanes San José, Marcos
A1 Saragi, Rizalina T.
A1 Caminati, Walther
A1 Lesarri Gómez, Alberto Eugenio
K1 Química Física
K1 molecular aggregation · chalcogenbonds · chiral recognition · non-covalentinteractions · pnicogen bonds · rotationalspectroscopy
K1 2210 Química Física
AB In the last decade experiment and theory have expanded our vision of non-covalent interactions, shifting the focus from the conventional hydrogen bond to new bridging interactions involving a variety of weak donor/acceptor partners. While most experimental data originates from condensed phases, the introduction of broadband (chirped-pulse) microwave fast-passage techniques has revolutionized the field of rotational spectroscopy, offering unexplored avenues for high-resolution studies in the gas phase. We present an outlook of hot topics for rotational investigations on isolated intermolecular clusters generated in supersonic jet expansions. Rotational spectra offer very detailed structural data, easily discriminating the isomeric or isotopic composition and effectively cancelling any solvent, crystal or matrix bias. The direct comparison with quantum mechanical predictions provides insight into the origin of the inter- and intra-molecular interactions with much greater precision than any other spectroscopic technique, simultaneously serving as test-bed for fine-tuning of theoretical methods. We present recent examples of rotational investigations around three topics: oligomer formation, chiral recognition and identification of halogen, calchogen, pnicogen or tetrel bonds. The selected examples illustrate the benefits of rotational spectroscopy for the structural and energetic assessment of inter-/intra-molecular interactions, which may help to move from fundamental research to applications in supramolecular chemistry and crystal engineering.
PB Wiley
SN 0947-6539
YR 2019
FD 2019
LK https://uvadoc.uva.es/handle/10324/74562
UL https://uvadoc.uva.es/handle/10324/74562
LA eng
NO Chem. Eur. J. Abril 2019, 25, 11402 – 11411
NO Producción Científica
DS UVaDOC
RD 16-abr-2025