A molecular electron density theory study of the insertion of CO into frustrated Lewis pair boron-amidines: a [4 + 1] cycloaddition reaction-Reference-Cited by-同舟云学术

A molecular electron density theory study of the insertion of CO into frustrated Lewis pair boron-amidines: a [4 + 1] cycloaddition reaction

Published:2019 Issue:25 Volume:48 Page:9214-9224
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Ríos-Gutiérrez Mar¹²³⁴⁵^ORCID,Domingo Luis R.¹²³⁴^ORCID,Rojas René S.⁶⁷⁸⁹⁵^ORCID,Toro-Labbé Alejandro⁶⁷⁸⁹⁵,Pérez Patricia¹⁰¹¹¹²¹³¹⁴^ORCID

Affiliation:

1. Universidad de Valencia

2. Departamento de Química Orgánica

3. E-46100 Burjassot

4. Spain

5. Nucleus Millennium Chemical Processes and Catalysis (CPC)

6. Pontificia Universidad Católica de Chile

7. Facultad de Química

8. Santiago

9. Chile

10. Universidad Andres Bello

11. Facultad de Ciencias Exactas

12. Departamento de Ciencias Químicas

13. Computational and Theoretical Chemistry Group

14. 8370146 Santiago

Abstract

The insertion of CO into hydrogenated boron-amidine yielding five-membered diazaborolone has been studied within the molecular electron density theory (MEDT) at the DFT ωB97X-D/6-311G(d,p) level.

Funder

Ministerio de Economía y Competitividad

Fondo Nacional de Desarrollo Científico y Tecnológico

H2020 Marie Skłodowska-Curie Actions

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/DT/C9DT01489F

Reference83 articles.

1. Frustrated Lewis Pairs

2. Frustrated Lewis Pairs: From Concept to Catalysis

3. The broadening reach of frustrated Lewis pair chemistry

4. Reversible, Metal-Free Hydrogen Activation

5. Facile Heterolytic Cleavage of Dihydrogen by Phosphines and Boranes

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