The nature of the intermolecular interaction in (H2X)2 (X = O, S, Se)
Abstract
We address the question whether (H2S)2and (H2Se)2are H-bonded clusters. Our wave function analyses indicate that these clusters are not H-bonded and more importantly, they spotlight too lenient criteria for the occurrence of hydrogen bonds.
Type
Publication
Physical Chemistry Chemical Physics
Evelio Francisco Miguélez
Associate Professor
Associate Professor of Physical Chemistry at the University of Oviedo. Expert in the development and application of quantum chemical topology methods, IQA analysis, and electron correlation descriptors.
Aurora Costales Castro
Associate Professor
Associate Professor of Physical Chemistry at the University of Oviedo. Her research applies quantum chemical topology to study chemical bonding in solids, clusters, and molecular systems.