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Mid‐IR Spectroscopy and Structural Features of Protonated Carbonic Acid in the Gas Phase |
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| Authors: | Barbara Chiavarino Dr. Maria Elisa Crestoni Prof. Simonetta Fornarini Prof. Francesco Lanucara Joel Lemaire Dr. Philippe Maitre Dr. |
| Affiliation: | 1. Dipartimento di Chimica e Tecnologie del Farmaco, Università di Roma “La Sapienza”, P.le A. Moro 5, 00185, Roma (Italy), Fax: (+39)?06‐4991‐3602;2. Laboratoire de Chimie Physique, UMR8000 Université Paris‐Sud 11, Faculté des Sciences d' Orsay, Batiment 350, 91405 Orsay Cedex (France) |
| Abstract: | An anti trihydroxycarbenium ion is revealed to be the gas‐phase structure of protonated carbonic acid by IR multiple‐photon dissociation spectroscopy (see picture for calculated structure and comparison of experimental and computed spectra). Deprotonation yields anti‐H2CO3 with a nominal gas‐phase basicity of 724 kJ mol?1.  |
| Keywords: | carbonic acid density functional calculations ion cyclotron resonance IR spectroscopy protonation |