Assessment of hydrogen bond strengths and cooperativity in self- and cross-associating cyclic (HF)<sub><i>m</i></sub>(H<sub>2</sub>O)<sub><i>n</i></sub>(<i>m</i>+<i>n</i>= 2 to 8) clusters
Deepak Patkar, Mini Bharati Ahirwar, S. P. Shrivastava, Milind M. Deshmukh
Abstract
In this work, we investigated the strengths of various self- and cross-associating hydrogen bonds (HBs) in mixed hydrogen fluoride–water cyclic (HF) m (H 2 O) n ( m + n = 2 to 8) clusters, employing a molecular tailoring approach (MTA)-based method.
Topics & Concepts
ChemistryCooperativityHydrogen bondHydrogen fluorideFluorideHydrogenCrystallographyComputational chemistryPhysical chemistryMoleculeInorganic chemistryOrganic chemistryBiochemistryCrystallography and molecular interactionsInorganic Fluorides and Related CompoundsMolecular Spectroscopy and Structure