JOURNAL ARTICLE

Noble gas dative bonding with coinage metal carbene complexes: A theoretical study.

  • Published In: Journal of Computational Chemistry, 2024, v. 45, n. 9. P. 536 1 of 3

  • Database: Academic Search Ultimate 2 of 3

  • Authored By: Yashmin, Farnaz; Sharma, Rohan; Mazumder, Lakhya J.; Sharma, Pankaz K. 3 of 3

Abstract

The structure and stability of noble gas (Ng) bound [NHCM]+ complexes (M = Cu, Ag, and Au) were investigated using Quantum chemical calculations. Dissociation energies, enthalpy, and free energy changes were computed to comprehend the stability of these Ng‐bonded complexes. The nature of interactions associated to the bonding between metal and noble gas atoms was studied through the computation of electron density‐based descriptors. Detailed electronic structure study revealed electron donation from the noble gas atoms towards the metal center, resulting in the formation of dative bonds. [ABSTRACT FROM AUTHOR]

Additional Information

  • Source:Journal of Computational Chemistry. 2024/04, Vol. 45, Issue 9, p536
  • Document Type:Article
  • Subject Area:Chemistry
  • Publication Date:2024
  • ISSN:0192-8651
  • DOI:10.1002/jcc.27253
  • Accession Number:175364899
  • Copyright Statement:Copyright of Journal of Computational Chemistry is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

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