Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
115 (2001), S. 9260-9265
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The results of a theoretical study of the I−H2O anion and its neutral precursors are presented. The hydrogen-bonded structures were predicted for both the ionic and neutral complexes. The energetically preferred isomer for IH2O however is a species with the direct O–I bond. The relation between the potential energy surfaces for ionic and neutral moieties is evaluated based on their electron affinity properties. Thermodynamic and spectroscopic (IR) properties of complexes are discussed. The interaction energy decomposition is applied to explore the differences between the nature of bonding within the studied complexes. © 2001 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1412005
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