Matrix Isolation FTIR and Theoretical Study of Weakly Bound Complexes of Isocyanic Acid with Nitrogen

Weak complexes of isocyanic acid (HNCO) with nitrogen were studied computationally employing MP2, B2PLYPD3 and B3LYPD3 methods and experimentally by FTIR matrix isolation technique. The results show that HNCO interacts specifically with N(2). For the 1:1 stoichiometry, three stable minima were locat...

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Detalles Bibliográficos
Autores principales: Krupa, Justyna, Wierzejewska, Maria, Lundell, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8777744/
https://www.ncbi.nlm.nih.gov/pubmed/35056808
http://dx.doi.org/10.3390/molecules27020495

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8777744/
https://www.ncbi.nlm.nih.gov/pubmed/35056808
http://dx.doi.org/10.3390/molecules27020495

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