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 $=800-1800cm-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. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Anion recognition by uranyl-salophen derivatives as probed by infrared multiple photon dissociation spectroscopy and Ab initio modeling / Bodo, Enrico; Ciavardini, Alessandra; Dalla Cort, Antonella; Giannicchi, Ilaria; Yafteh Mihan, Francesco; Fornarini, Simonetta; Vasile, Silvana; Scuderi, Debora; Piccirillo, Susanna. - In: CHEMISTRY-A EUROPEAN JOURNAL. - ISSN 0947-6539. - STAMPA. - 20:37(2014), pp. 11783-11792. [10.1002/chem.201402788]
Anion recognition by uranyl-salophen derivatives as probed by infrared multiple photon dissociation spectroscopy and Ab initio modeling
Bodo, Enrico;Ciavardini, Alessandra;Dalla Cort, Antonella;Giannicchi, Ilaria;Yafteh Mihan, Francesco;Fornarini, Simonetta;Scuderi, Debora;Piccirillo, Susanna
2014
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 $=800-1800cm-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. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
