title: The Borderline between Reactivity and Pre-reactivity of Binary Mixtures of Gaseous Carboxylic Acids and Alcohols.
abstract: By mixing primary and secondary alcohols with carboxylic acids just before the supersonic expansion within pulsed Fourier transform microwave experiments, only the rotational spectrum of the ester was observed. However, when formic acid was mixed with tertiary alcohols, adducts were formed and their rotational spectra could be easily measured. Quantum mechanical calculations were performed to interpret the experimental evidence.
authors.affiliation: Dipartimento di Chimica "G. Ciamician", University of Bologna, Via Selmi 2, 40126, Bologna, Italy.
authors.forename: Luca
authors.initials: L
authors.lastname: Evangelisti
authors.affiliation: Dipartimento di Chimica "G. Ciamician", University of Bologna, Via Selmi 2, 40126, Bologna, Italy.|Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126, Pisa, Italy.
authors.forename: Lorenzo
authors.initials: L
authors.lastname: Spada
authors.affiliation: Dipartimento di Chimica "G. Ciamician", University of Bologna, Via Selmi 2, 40126, Bologna, Italy.
authors.forename: Weixing
authors.initials: W
authors.lastname: Li
authors.affiliation: Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126, Pisa, Italy.
authors.forename: Fanny
authors.initials: F
authors.lastname: Vazart
authors.affiliation: Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126, Pisa, Italy.
authors.forename: Vincenzo
authors.initials: V
authors.lastname: Barone
authors.affiliation: Dipartimento di Chimica "G. Ciamician", University of Bologna, Via Selmi 2, 40126, Bologna, Italy.
authors.forename: Walther
authors.identifier: 0000-0002-1845-3759
authors.initials: W
authors.lastname: Caminati
keywords: chemical dynamics calculations; esterification; hydrogen bonding; molecular complexes; rotational spectroscopy