Abstract
Arsine gas holds an important place in industrial toxicology. The aim of this work is to identify and characterize the hydrogen bonding in the complexes formed by arsine and H-X (X = F, Cl, Br, HO, NC, CN, CH3, C2H) molecules. It is hopeful that these analyses and calculations could be helpful to understand the essence of chemical bonding in the complexes formed by arsine and other molecules. Various methods including electrostatic potential, natural bond orbital, atoms in molecules theory, electron density difference plots and reduced electron density gradient were used to characterize the interactions in all these complexes.
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