Anion Recognition by Uranyl–Salophen Derivatives as Probed by Infrared Multiple Photon Dissociation Spectroscopy and Ab Initio Modeling |
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| Authors: | Prof. Enrico Bodo Dr. Alessandra Ciavardini Prof. Antonella Dalla Cort Dr. Ilaria Giannicchi Dr. Francesco Yafteh Mihan Prof. Simonetta Fornarini Dr. Silvana Vasile Dr. Debora Scuderi Prof. Susanna Piccirillo |
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| Affiliation: | 1. Dipartimento di Chimica, Università di Roma “La Sapienza”, P.le A. Moro 5, 00185 Rome (Italy);2. Dipartimento di Chimica e Tecnologie del Farmaco, Università di Roma “La Sapienza”, P.le A. Moro 5, 00185 Rome (Italy);3. Dipartimento di Scienze e Tecnologie Chimiche, Università di Roma “Tor Vergata”, Via della Ricerca Scientifica, 00133 Rome (Italy);4. Laboratoire de Chimie Physique, Université Paris Sud, UMR8000 CNRS, Bat.350, 91405 Orsay cedex (France) |
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| Abstract: | The vibrational features and molecular structures of complexes formed by a series of uranyl–salophen receptors with simple anions, such as Cl?, H?, and HCOO?, have been investigated in the gas phase. Spectra of the anionic complexes were studied in the $tilde nu $ =800–1800 cm?1 range by mass‐selective infrared multiple photon dissociation (IRMPD) spectroscopy with a continuously tunable free‐electron laser. The gas‐phase decarboxylation of the formate adducts produces uranyl–salophen monohydride anions, which have been characterized for the first time and reveal a strong U?H bond, the nature of which has been elucidated theoretically. The spectra are in excellent agreement with the results obtained from high‐quality ab initio calculations, which provided the structure and binding features of the anion–receptor complexes. |
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| Keywords: | ab initio calculations anions gas‐phase reactions uranium vibrational spectroscopy |
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