Electron Density Topological Analysis the Intermolecular Weak Interaction between GeH₄ and X(X=He, Ne, Ar and Kr)

Abstract:

The intermolecular weak interaction between GeH4 and X(X=He, Ne, Ar, Kr) has been studied at MP2/aug-cc-pvtz level. Electron density topological properties of the studied systems have been calculated to investigate the critical points of H…X weak bonds. The molecules electrostatic potential (MESP) image is one of the tools for conformational analysis, and the related data suggests the view of the non-electrostatic weak interaction in nature of the GeH4…X(X=Ar, Kr) systems. To help possible experimental identification of the intermolecular weak interactions described in this work, the frequencies analysis and NMR properties were also calculated at MP2/aug-cc-pvtz level.

• Periodical: Applied Mechanics and Materials (Volume 251)
• Pages: 373-377
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.251.373
• Online since: December 2012
• Authors: Yan Zhi Liu, Yan Liu, Hui An Tang, Kun Yuan
• Keywords: Electron Density, Intermolecular Weak Interaction, Molecules Electrostatic Potential, Topological Analysis

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