Caricamento...

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...

Descrizione completa

Salvato in:
Dettagli Bibliografici
Pubblicato in:Molecules
Autori principali: Lei, Juncheng, Alessandrini, Silvia, Chen, Junhua, Zheng, Yang, Spada, Lorenzo, Gou, Qian, Puzzarini, Cristina, Barone, Vincenzo
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI 2020
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7660205/
https://ncbi.nlm.nih.gov/pubmed/33113920
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25214899
Tags: Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !