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Urethane Formation with an Excess of Isocyanate or Alcohol: Experimental and Ab Initio Study

A kinetic and mechanistic investigation of the alcoholysis of phenyl isocyanate using 1-propanol as the alcohol was undertaken. A molecular mechanism of urethane formation in both alcohol and isocyanate excess is explored using a combination of an accurate fourth generation Gaussian thermochemistry...

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Detalles Bibliográficos
Autores principales: Cheikh, Wafaa, Rózsa, Zsófia Borbála, Camacho López, Christian Orlando, Mizsey, Péter, Viskolcz, Béla, Szőri, Milán, Fejes, Zsolt
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6835639/
https://www.ncbi.nlm.nih.gov/pubmed/31546721
http://dx.doi.org/10.3390/polym11101543