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

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Dipartimento di Chimica, Biologia e Biotecnologie, via Elce di Sotto 8, I-06123 Perugia, Italy
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Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), via Elce di Sotto, I-06123 Perugia, Italy
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Dipartimento di Ingegneria Civile ed Ambientale, Università degli Studi di Perugia, via G. Duranti 93, 06215 Perugia, Italy
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Authors to whom correspondence should be addressed.
Academic Editor: Felice Grandinetti
Molecules 2020, 25(10), 2367; https://doi.org/10.3390/molecules25102367
Received: 27 April 2020 / Revised: 15 May 2020 / Accepted: 19 May 2020 / Published: 20 May 2020
(This article belongs to the Special Issue Noble Gas Compounds and Chemistry)
The nature, strength, range and role of the bonds in adducts of noble gas atoms with both neutral and ionic partners have been investigated by exploiting a fine-tuned integrated phenomenological–theoretical approach. The identification of the leading interaction components in the noble gases adducts and their modeling allows the encompassing of the transitions from pure noncovalent to covalent bound aggregates and to rationalize the anomalous behavior (deviations from noncovalent type interaction) pointed out in peculiar cases. Selected adducts affected by a weak chemical bond, as those promoting the formation of the intermolecular halogen bond, are also properly rationalized. The behavior of noble gas atoms excited in their long-life metastable states, showing a strongly enhanced reactivity, has been also enclosed in the present investigation. View Full-Text
Keywords: chemical bond; cross sections; molecular beam scattering; charge transfer; coupled cluster; excited states; ionization potential; electron affinity chemical bond; cross sections; molecular beam scattering; charge transfer; coupled cluster; excited states; ionization potential; electron affinity
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MDPI and ACS Style

Nunzi, F.; Pannacci, G.; Tarantelli, F.; Belpassi, L.; Cappelletti, D.; Falcinelli, S.; Pirani, F. Leading Interaction Components in the Structure and Reactivity of Noble Gases Compounds. Molecules 2020, 25, 2367.

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