Revealing the electronic properties of the B–B bond: the bis-catecholato diboron molecule-Reference-Cited by-同舟云学术

Revealing the electronic properties of the B–B bond: the bis-catecholato diboron molecule

Published:2021 Issue:41 Volume:23 Page:23517-23525
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Toffoli D.¹^ORCID,Grazioli C.²^ORCID,Monti M.¹^ORCID,Stener M.¹^ORCID,Totani R.³^ORCID,Richter R.⁴^ORCID,Schio L.²^ORCID,Fronzoni G.¹^ORCID,Cossaro A.¹²^ORCID

Affiliation:

1. Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste, Italy

2. IOM-CNR, Istituto Officina dei Materiali-CNR, S.S.14, Km 163.5, 34149 Trieste, Italy

3. ISM-CNR, Istituto di Struttura della Materia, LD2 Unit, 34149 Trieste, Italy

4. Elettra-Sincrotrone Trieste, 34149 Basovizza, Trieste, Italy

Abstract

ΔSCF calculations reveal the nature of the transitions in a B–B containing molecule, describing its electronic structure.

Funder

Università degli Studi di Trieste

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP03428F

Reference35 articles.

1. Boroxine chemistry and applications: A perspective

2. Organoboron Acids and Their Derivatives as Catalysts for Organic Synthesis

3. Diboron(4) Compounds: From Structural Curiosity to Synthetic Workhorse

4. Theoretical study on homolytic B–B cleavages of diboron(4) compounds

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