Frontiers in Rotational Spectroscopy: Shapes and Tunneling Dynamics of the Four Conformers of the Acrylic Acid—Difluoroacetic Acid Adduct

Feng, Gang; Gou, Qian; Evangelisti, Luca; Camináti, Walther

doi:10.1002/ange.201308459

Cited by 13 publications

(2 citation statements)

References 27 publications

(17 reference statements)

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“…6 Moreover, this interaction is associated with the double proton transfer when it connects two equivalent dimer forms. 7 Proton transfer has been related to the possible appearance of genetic mutations of DNA. [8][9][10] The first microwave spectroscopic study of an acid-acid heterodimer was done by Costain and Srivastava at room temperature in 1961.…”

Section: Introductionmentioning

confidence: 99%

“…7,8,[12][13][14][15][16][17][18][19][20][21] The most recent ones focused on the proton transfer process, 7,8,[14][15][16][17] or on the study of conformational equilibria. [18][19][20][21] The systems for which the highest number of different acid-acid complex conformations have been observed are acrylic acid-difluoroacetic acid cluster 7 and o-AA-FA complex 21 with four conformers in each case. The most interesting aspect of the last system is the observation of two forms of the complex with o-AA bearing a trans-COOH arrangement, the first time that such uncommon complex structures were observed.…”

Section: Introductionmentioning

confidence: 99%

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Conformational Landscape of m-Anisic Acid and Its Complexes with Formic Acid

et al. 2019

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Four conformers of m-anisic acid were observed in a supersonic expansion using Fourier transform microwave spectroscopy. These conformers correspond to different relative orientations of the acid and the methoxy groups and have their planar skeletons stabilized by resonance. When formic acid was present in the jet, the spectra of four m-anisic acid-formic acid heterodimer conformers were detected. The complexes are formed from the interaction of formic acid with each of the four observed conformers of m-anisic acid through the typical acid-acid sequential cycle with a double O-H•••O=C hydrogen bond interaction in a pseudo eightmembered ring arrangement. The four heterodimer forms retain the same four m-anisic acid conformational geometries and the same relative abundances of the m-anisic acid monomeric forms in the supersonic expansion. This proves that a kinetic mechanism dominates the formation of complexes in the jet.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Conformational Landscape of m-Anisic Acid and Its Complexes with Formic Acid

et al. 2019

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The Borderline between Reactivity and Pre‐reactivity of Binary Mixtures of Gaseous Carboxylic Acids and Alcohols

Evangelisti

Spada

et al. 2017

Angewandte Chemie

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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.

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