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Anion Recognition by Uranyl–Salophen Derivatives as Probed by Infrared Multiple Photon Dissociation Spectroscopy and Ab Initio Modeling
Author(s) -
Bodo Enrico,
Ciavardini Alessandra,
Dalla Cort Antonella,
Giannicchi Ilaria,
Yafteh Mihan Francesco,
Fornarini Simonetta,
Vasile Silvana,
Scuderi Debora,
Piccirillo Susanna
Publication year - 2014
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201402788
Subject(s) - infrared multiphoton dissociation , chemistry , uranyl , dissociation (chemistry) , infrared spectroscopy , formate , ab initio , ab initio quantum chemistry methods , spectroscopy , ion , mass spectrometry , photochemistry , crystallography , molecule , organic chemistry , physics , chromatography , quantum mechanics , catalysis
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 UH 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.