Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex

The most stable isomer of the 1:1 complex formed by 2,2,2-trifluoroacetophenone and water has been characterized by combining rotational spectroscopy in supersonic expansion and state-of-the-art quantum-chemical computations. In the observed isomer, water plays the double role of proton donor and ac...

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Detalles Bibliográficos
Autores principales: Lei, Juncheng, Alessandrini, Silvia, Chen, Junhua, Zheng, Yang, Spada, Lorenzo, Gou, Qian, Puzzarini, Cristina, Barone, Vincenzo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7660205/
https://www.ncbi.nlm.nih.gov/pubmed/33113920
http://dx.doi.org/10.3390/molecules25214899

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7660205/
https://www.ncbi.nlm.nih.gov/pubmed/33113920
http://dx.doi.org/10.3390/molecules25214899

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