The cationic fragmentation products in the dissociative ionization of pyridine and benzonitrile have been studied by infrared action spectroscopy in a cryogenic ion trap instrument at the Free-Electron Lasers for...
The linear radical cation of cyanoacetylene, HC3N+(2Π), is not only of astrophysical interest, being the, so far undetected, cationic counterpart of the abundant cyanoaceteylene, but is also of fundamental spectroscopic interest due to its strong spin-orbit and Renner-Teller interactions. Here, we present the first broadband vibrational action spectroscopic investigation of this ion through the infrared pre-dissociation (IRPD) method using a Ne tag. Experiments have been performed using the FELion cryogenic ion-trap instrument in combination with the FELIX free-electron lasers and a Laservision OPO/OPA system. The vibronic splitting patterns of the three interacting bending modes (ν5,ν6, ν7), ranging from 180 − 1600 cm−1, could be fully resolved revealing several bands that were previously unobserved. The associated Renner-Teller and intermode coupling constants have been determined by fitting an effective Hamiltonian to the experimental data, and the obtained spectroscopic constants are in reasonable agreement with previous photoelectron spectroscopy (PES) studies and ab initio calculations on the HC3N+ ion. The influence of the attached Ne atom on the infrared spectrum has been investigated by ab initio calculations at the RCCSD(T)-F12a level of theory, which strongly indicates that the discrepancies between the IRPD and PES data are a result of the effects of the Ne attachment.
The catalytic performance of the bare Co3O4 and mixed cobalt- spinel catalysts (MxCo3-xO4; M = Cr, Mn, Fe, Ni, Cu, Zn) in the CO-PROX process was investigated in the temperature-programmed...
The linear radical cation of cyanoacetylene, HC 3 N + ( 2 Π), is of fundamental spectroscopic interest due to its strong spin-orbit and Renner-Teller interactions, which have been investigated previously in several high-resolution photoelectron spectroscopic (PES) studies a,b,c . Here, we present the first broadband vibrational action spectroscopic investigation of this ion through the infrared pre-dissociation (IRPD) method using a Ne tag. Experiments have been performed using the FELion cryogenic ion trap instrument in combination with the Free Electron Lasers for Infrared eXperiments (FELIX) Laboratory at the Radboud University (Nijmegen, The Netherlands) d . The vibronic splitting patterns of the 3 interacting bending modes (ν 5 ,ν 6 ,ν 7 ), ranging from 180-1600 cm −1 , could be fully resolved revealing several bands that were previously unobserved. The associated Renner-Teller and cross-coupling constants were determined by fitting an effective Hamiltonian to the experimental data, and the obtained spectroscopic constants were in reasonable agreement with previous studies of the HC 3 N + ion. The influence of the attached Ne atom on the infrared spectrum was investigated by ab initio calculations at the CCSD(T) level of theory, showing that the discrepancies between the IRPD and PES data can be explained by the effect of the Ne binding.
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