High-Level Coupled-Cluster Study on Substituent Effects in H<sub>2</sub>Activation by Low-Valent Aluminyl Anions-Reference-Cited by-同舟云学术

High-Level Coupled-Cluster Study on Substituent Effects in H₂Activation by Low-Valent Aluminyl Anions

Published:2023-01-23 Issue:4 Volume:127 Page:956-965
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Villegas-Escobar Nery¹^ORCID,Hoobler Preston R.²^ORCID,Toro-Labbé Alejandro³,Schaefer Henry F.⁴^ORCID

Affiliation:

1. Departamento de Físico-Química, Facultad de Ciencias Químicas, Universidad de Concepción, Concepción4070386, Chile

2. Department of Chemistry, Covenant College, Lookout Mountain, Georgia30750, United States

3. Laboratorio de Química Teórica Computacional (QTC), Facultad de Química, Pontificia Universidad Católica de Chile, Avenida Vicuña Mackenna, 4860Santiago, Chile

4. Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia30602, United States

Funder

Fondo Nacional de Desarrollo Cient?fico y Tecnol?gico

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c08403

Reference54 articles.

1. The Tetrameric Aluminum(I) Compound[{Al(η5-C5Me5)}4]

2. Synthesis and Structure of a Monomeric Aluminum(I) Compound [{HC(CMeNAr)2}Al] (Ar=2,6–iPr2C6H3): A Stable Aluminum Analogue of a Carbene

3. Synthesis, structure and reaction chemistry of a nucleophilic aluminyl anion

4. Contrasting the Mechanism of H 2 Activation by Monomeric and Potassium‐Stabilized Dimeric Al I Complexes: Do Potassium Atoms Exert any Cooperative Effect?

5. Reversible, Room-Temperature C—C Bond Activation of Benzene by an Isolable Metal Complex

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