How to capture C2O2: structures and bonding of neutral and charged complexes [(NHC)–C2O2–(NHC)]q (NHC = N-heterocyclic carbene; q = 0, 1+, 2+)-Reference-Cited by-同舟云学术

How to capture C₂O₂: structures and bonding of neutral and charged complexes [(NHC)–C₂O₂–(NHC)]^q (NHC = N-heterocyclic carbene; q = 0, 1+, 2+)

Published:2022 Issue:27 Volume:24 Page:16732-16745
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ding Chengxiang¹^ORCID,Yao Lei¹,Zhao Lili¹²^ORCID,Frenking Gernot¹²³⁴^ORCID

Affiliation:

1. Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Nanjing Tech University, Nanjing 211816, China

2. Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China

3. Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Strasse 4, D-35043 Marburg, Germany

4. Donostia International Physics Center (DIPC), P.K. 1072, 20080 Donostia, Euskadi, Spain

Abstract

The molecules [(NHC)–C2O2–(NHC)]q (q = 0, +1, +2) have strong electron-sharing and dative C–C bonds making all systems thermodynamically stable. The stability of the neutral complex is due to the much lower S/T gap of [NHC–CO] than of CO.

Funder

Nanjing Tech University

Natural Science Foundation of Jiangsu Province

National Natural Science Foundation of China

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02598A

Reference76 articles.