A “gold standard” computational proof for the existence of gold(<scp>iii</scp>) aurophilicity-Reference-Cited by-同舟云学术

A “gold standard” computational proof for the existence of gold(iii) aurophilicity

Published:2023 Issue:8 Volume:52 Page:2219-2222
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Blasco Daniel¹²^ORCID,Reboiro Félix¹,Sundholm Dage²^ORCID,Olmos M. Elena¹^ORCID,Monge Miguel¹^ORCID,López-de-Luzuriaga José M.¹^ORCID

Affiliation:

1. Departamento de Química, Centro de Investigación en Síntesis Química (CISQ), Universidad de La Rioja, Madre de Dios 53, 26006, Logroño, Spain

2. Department of Chemistry, Faculty of Science, University of Helsinki, P.O. Box 55 (A.I. Virtasen aukio 1), FIN-00014, Helsinki, Finland

Abstract

“Gold standard” calculations for gold(iii) interactions: a stabilizing interaction between the gold(iii) atoms of molecule [AuIII(CH3)3(NH3)]2 is found at the CCSD(T)/def2-TZVP level of theory.

Funder

Agencia Estatal de Investigación

Ministerio de Ciencia e Innovación

Academy of Finland

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/DT/D2DT03731A

Reference23 articles.

1. Innovative Molecular Design Strategies in Materials Science Following the Aurophilicity Concept

2. Aurophilic interactions as a subject of current research: an up-date

3. A briefing on aurophilicity

4. Theoretical Chemistry of Gold

5. van der Waals Volumes and Radii

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