Nature of the Interaction of Pyridines with OCS. A Theoretical Investigation

Ab initio calculations were carried out to investigate the interaction between para-substituted pyridines (X-C(5)H(4)N, X=NH(2), CH(3), H, CN, NO(2)) and OCS. Three stable structures of pyridine.OCS complexes were detected at the MP2=full/aug-cc-pVDZ level. The A structure is characterized by N…S ch...

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Detalles Bibliográficos
Autores principales: Bhattarai, Sumitra, Sutradhar, Dipankar, Chandra, Asit K., Zeegers-Huyskens, Therese
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7024555/
https://www.ncbi.nlm.nih.gov/pubmed/31963861
http://dx.doi.org/10.3390/molecules25020416

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7024555/
https://www.ncbi.nlm.nih.gov/pubmed/31963861
http://dx.doi.org/10.3390/molecules25020416

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