Artículo
On the interaction between deprotonated Cytosine (C‐H) and Ba2+: Infrared multiphoton spectroscopy and dynamics
Cruz Ortiz, Andres Felipe
; Taccone, Martín Ignacio
; Maitre, Philippe; Rossa, Maximiliano
; Pino, Gustavo Ariel
Fecha de publicación:
11/2020
Editorial:
Wiley VCH Verlag
Revista:
Chemphyschem
ISSN:
1439-4235
e-ISSN:
1439-7641
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Gas-phase interactions between Ba2+ and deprotonated cytosine (C(−H)) were studied in [C(−H)Ba]+ and [C(−H)BaC]+ complexes by IRMPD spectroscopy coupled to tandem mass-spectrometry in combination with DFT calculations. For the [C(−H)BaC]+ complex only one [C(−H)KAN1O−Ba-Canti]+ isomer was found, although the presence of another structure cannot be excluded. This isomer features a central tetracoordinated Ba2+ that simultaneously interacts with keto-amino [C(−H)]− deprotonated on N1 and neutral keto-amino C. Both moieties are in different planes as a consequence of an additional NH…O=C hydrogen bond between C and [C(−H)]−. A sequential IRMPD dynamics is observed in this complex. For the [C(−H)Ba]+ complex produced by electrospray ionization two isomers ([C(−H)KAN1OBa]+ and [C(−H)KAN3OBa]+) were identified, in which Ba2+ interacts simultaneously with the C=O group and the N1 or N3 atom of the keto-amino [C(−H)]−, respectively. A comparison with the related [C(−H)Pb]+ complex (J. Y. Salpin et al., Chem. Phys. Chem. 2014, 15, 2959–2971) is also presented.
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Colecciones
Articulos(INFIQC)
Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Citación
Cruz Ortiz, Andres Felipe; Taccone, Martín Ignacio; Maitre, Philippe; Rossa, Maximiliano; Pino, Gustavo Ariel; On the interaction between deprotonated Cytosine (C‐H) and Ba2+: Infrared multiphoton spectroscopy and dynamics; Wiley VCH Verlag; Chemphyschem; 21; 22; 11-2020; 2571-2582
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