Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study.
Journal
The journal of physical chemistry. A
ISSN: 1520-5215
Titre abrégé: J Phys Chem A
Pays: United States
ID NLM: 9890903
Informations de publication
Date de publication:
20 Jun 2019
20 Jun 2019
Historique:
pubmed:
3
4
2019
medline:
3
4
2019
entrez:
3
4
2019
Statut:
ppublish
Résumé
The variation in the singlet-triplet energy gap of diphenylcarbene (DPC) upon interaction with hydrogen (water and methanol) or halogen bond (XCF
Identifiants
pubmed: 30938995
doi: 10.1021/acs.jpca.9b01051
pmc: PMC6727382
doi:
Types de publication
Journal Article
Langues
eng
Pagination
5081-5090Références
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