Literature DB >> 25755007

Experimental evidence of chemical components in the bonding of helium and neon with neutral molecules.

David Cappelletti1, Alessio Bartocci, Felice Grandinetti, Stefano Falcinelli, Leonardo Belpassi, Francesco Tarantelli, Fernando Pirani.   

Abstract

The complexes of helium and neon with gaseous neutral molecules are generally perceived to be van der Waals adducts held together by physical (non-covalent) forces, owing to the combination of size (exchange) repulsion with dispersion/induction attraction. Molecular beam experiments confirm that this is the case for He-CF4 , Ne-CF4 adducts, but revealed that the interaction of He and Ne with CCl4 features an appreciable contribution of chemical components that arise from the anisotropy of the electron density of CCl4 that enhances a charge transfer from Ng (Ng=He, Ne). These findings furnish a novel assay of the bonding capabilities of helium and neon, and invite to revisit the neutral complexes of these elements as systems of chemical relevance. The CCl4 -Ng are also peculiar examples of halogen bonds, a group of interactions of major current concern. Finally, this investigation is a prelude to the development of semi-empirical models for force fields aimed to the unified description of static and dynamical properties of systems of comparable or higher complexity.
© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Entities:  

Keywords:  ab initio calculations; charge transfer; halogen bonds; helium; molecular beam scattering

Year:  2015        PMID: 25755007     DOI: 10.1002/chem.201406103

Source DB:  PubMed          Journal:  Chemistry        ISSN: 0947-6539            Impact factor:   5.236


  4 in total

1.  The interaction of CCl4 with Ng (Ng = He, Ne, Ar), O2, D2O and ND3: rovibrational energies, spectroscopic constants and theoretical calculations.

Authors:  Rhuiago M de Oliveira; Luiz F Roncaratti; Luiz Guilherme M de Macedo; Ricardo Gargano
Journal:  J Mol Model       Date:  2017-02-21       Impact factor: 1.810

Review 2.  Leading Interaction Components in the Structure and Reactivity of Noble Gases Compounds.

Authors:  Francesca Nunzi; Giacomo Pannacci; Francesco Tarantelli; Leonardo Belpassi; David Cappelletti; Stefano Falcinelli; Fernando Pirani
Journal:  Molecules       Date:  2020-05-20       Impact factor: 4.411

3.  The Halogen-Bond Nature in Noble Gas-Dihalogen Complexes from Scattering Experiments and Ab Initio Calculations.

Authors:  Francesca Nunzi; Benedetta Di Erasmo; Francesco Tarantelli; David Cappelletti; Fernando Pirani
Journal:  Molecules       Date:  2019-11-23       Impact factor: 4.411

4.  Spectroscopic/Bond Property Relationship in Group 11 Dihydrides via Relativistic Four-Component Methods.

Authors:  Diego Sorbelli; Matteo De Santis; Paola Belanzoni; Leonardo Belpassi
Journal:  J Phys Chem A       Date:  2020-12-02       Impact factor: 2.781

  4 in total

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