Vibrational spectroscopy of matrix-isolated, mass-selected cyanoacetylene cations
نویسندگان
چکیده
Recent infrared spectroscopic results from a new setup for the deposition of mass-selected ions in neon matrices are presented. The strong infrared signal observed for the asymmetric stretch of CNC and the appearance of the corresponding band for CNC in its natural isotopic abundance, demonstrates the sensitivity and usefulness of the apparatus. Evidence of a combination band of CNC involving the low-frequency bend is also obtained. Using this setup, the infrared spectra of the cyanoacetylenic cations, H~D!C3N , and C4N2 1 are observed for the first time. The assignment of the stretching vibrations of these linear cations are well-supported by density-functional calculations. © 2001 American Institute of Physics. @DOI: 10.1063/1.1405019#
منابع مشابه
Resonance-enhanced Photodissociation Spectroscopy of Mass-selected Metal Cluster Cations
Vibrationally resolved electronic spectra are reported for the diatomic cations Tel and Bi: using the technique of resonance-enhanced photodissociation spectroscopy (REPD). These ions are generated by laser vaporization in a pulsed nozzle source, jet-cooled, mass-selected with a reflectron time-of-flight spectrometer, and dissociated on resonance with a tunable dye laser. Electronic excitation ...
متن کاملVibrational spectroscopy and density functional theory of transition-metal ion-benzene and dibenzene complexes in the gas phase.
Metal-benzene complexes of the form M(benzene)(n) (M = Ti, V, Fe, Co, Ni) are produced in the gas-phase environment of a molecular beam by laser vaporization in a pulsed nozzle cluster source. These complexes are photoionized with an ArF excimer laser, producing the corresponding cations. The respective mono- and dibenzene complex ions are isolated in an ion-trap mass spectrometer and studied w...
متن کاملVibrational spectroscopic study on 2-[2-(4-dipropylamino-phenyl)-vinyl]-1,3,3-trimethyl-3H-indolium chloride.
A new styryl dye were prepared, 2-[2-(4-dipropylamino-phenyl)-vinyl]-1,3,3-trimethyl-3H-indolium chloride (DPPTVI) chloride. Its infrared and Raman were measured. Quantum chemical calculations were computed for both the isolated and the solute cation. Optimized geometry, atomic net charges were calculated. The calculated vibrational frequencies were scaled to the experimental ones. Only 12 scal...
متن کاملLaser Photodissociation Spectroscopy of Mass - selected Metal Clusters
Electronic spectra are reported for the metal cluster (Tef) and metal cluster complex (Ag+-benzene, Mg'-C02) cations. These ions are generated by laser vaporization in a pulsed nozzle source, jet-cooled, mass-selected with a reflectron time-of-flight spectrometer, and dissociated on resonance with a tunable dye laser. Electronic excitation spectra are recorded by monitoring the appearance of th...
متن کاملHCNCC – the possible isomer of cyanoacetylene
HCNCC, the exotic linear rearrangement of cyanoacetylene, is a probable interstellar molecule. The Letter compares CCSD(T)/aug-cc-pVTZ energies of five cyanoacetylene isomers, and predicts properties of the HCNCC ground singlet electronic state: geometry, equilibrium rotational constant, electric dipole moment and vibrational frequencies – based on the coupled-clusters and density functional th...
متن کامل