Exploring the Nature of Silicon-Noble Gas Bonds in H3SiNgNSi and HSiNgNSi Compounds (Ng = Xe, Rn)

Exploring the Nature of Silicon-Noble Gas Bonds in H3SiNgNSi and HSiNgNSi Compounds (Ng = Xe, Rn)

Ab initio and density functional theory-based computations are performed to investigate the structure and stability of H3SiNgNSi and HSiNgNSi compounds (Ng = Xe, Rn). They are thermochemically unstable with respect to the dissociation channel producing Ng and H3SiNSi or HSiNSi. However, they are ki...

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Bibliographic Details
Main Authors: Sudip Pan, Ranajit Saha, Pratim K. Chattaraj
Format: Article
Language:English
Published: MDPI AG 2015-03-01
Series:International Journal of Molecular Sciences
Subjects:
ab initio study
dissociation channels
kinetic stability
natural population analysis
electron density analysis
energy decomposition analysis
Online Access:http://www.mdpi.com/1422-0067/16/3/6402

Internet

http://www.mdpi.com/1422-0067/16/3/6402

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