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Results for “Vibronic coupling”

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NASA NTRS1991

The generation of O(1S) from the dissociative recombination of O2(+)

The multichannel quantum defect theory (MQDT) method and large scale wave functions are applied to the calculation of the cross sections and rates for dissociative recombination of O2(+) along the 1Sigma-u(+) dissociative potential. Indirect dissociative recombination is accounted for by simultaneously including both the vibronic and electronic coupling to the intermediate Rydberg resonances. An enhanced MQDT approach involving a second-order K matrix is described. Cross sections and rates for the lowest three vibrational levels of the ion are reported. The shapes of the cross sections are discussed in terms of Fano's profile index. It is found that, for each of the three ion vibrational levels, the intermediate Rydberg resonances reduce the dissociative recombination rate below the direct recombination rate. Just above threshold, resonances with centers below threshold play an important role.

Guberman, Steven L.↗

NASA NTRS1992

Synchrotron infrared spectroscopy at megabar pressures - Vibrational dynamics of hydrogen to 180 GPa

New techniques for measuring infrared spectra at megabar pressures using synchrotron radiation have been developed and applied to study the Q1(1), Qi(1) + Si(0), and QR(J) vibrational transitions of solid hydrogen to 180 GPa. The frequency difference between the Q1(1) infrared and Raman vibrons increases from 3/cm (zero pressure) to 510/cm (180 GPa), indicating a dramatic increase in intermolecular coupling with pressure. A negative frequency shift is observed for the infrared vibron above 140 GPa. A significant increase in frequency and LO-TO splitting of the lattice phonon is also documented.

Hanfland, M.↗

NASA NTRS1972

Observation of a quadrupole interaction for cubic imperfections exhibiting a dynamic Jahn-Teller effect.

The observation and interpretation of weak EPR transitions, identified as 'forbidden' transitions, establish the existence of a new type of quadrupole interaction for cubic-symmetry imperfections. This interaction is simply a consequence of the ground-vibronic-state degeneracy. The signs as well as the magnitudes of the quadrupole-coupling coefficients are determined experimentally. These data agree well with the predictions of crystal field theory modified to account for a weak-to-moderate vibronic interaction (i.e., a dynamic Jahn-Teller effect).

Herrington, J. R.↗

NASA NTRS1992

Vibronic spectra of Cu(2+) in ZnTe

Infrared-absorption spectra of substitutional Cu(2+) ions in ZnTe have been measured at 4.6 K. Several distinct absorption peaks are observed between 800 and 2000/cm. Absorption peaks at 1002 and 1069/cm are identified as zero-phonon lines arising from 2T2-2E transitions. Between 1069 and 2000/cm, several sets of sharp absorption lines are seen to recur regularly at an interval of 210/cm, corresponding to the LO phonon energy. Within each set distinct vibronic sidebands that cannot be identified with critical-point energies of TA, LA, TO or LO phonon modes are observed. A dynamic Jahn-Teller effect, involving coupling between a single-phonon mode and the electronic states of the 2E level, is proposed to account for the observed spectra.

Volz, M. P.↗

NASA NTRS2002

Pulsed Discharge Nozzle Cavity Ring Down Spectroscopy of Cold PAH Ions

The gas-phase electronic absorption spectra of the naphthalene (C10H8(+)) and acenaphthene (C12H10(+)) cations have been measured in the visible range in a free 10 jet planar expansion in an attempt to collect data in an astrophysically relevant environment. The direct absorption spectra of two out of four bands measured of the gas-phase cold naphthalene cation along with the gas-phase vibronic absorption spectrum of the cold acenaphthene cation are reported for the first time. The study has been carried out using the ultrasensitive and versatile technique of cavity ringdown spectroscopy (CRDS) coupled to a pulsed discharge slit nozzle (PDN). The new CRDS-PDN set up is described and its characteristics are evaluated. The direct-absorption spectra of the PAH ions are discussed and compared to the gas-phase and solid-phase data available in the literature. The analysis of the results show that cold, free flying PAH ions are generated in the argon discharge primarily through soft Penning ionization. This enables the intrinsic band profiles to be measured, a key requirement for astrophysical applications.

Biennier, Ludovic↗

NASA NTRS1989

Jet-resolved vibronic structure in the higher excited states of N2O - Ultraviolet three-photon absorption spectroscopy from 80,000 to 90,000/cm

Ionization-detected UV multiphoton absorption spectroscopy of the excited states of N2O is presented, showing Rydberg structure within 20,000/cm of the first ionization threshold. Despite evidence for strong Rydberg-continuum coupling in the form of broadened bands and Fano line-shapes, the Rydberg structure persists, with atomic-like quantum defects and vibration structure well-matched with that of the ion. In the most clearly resolved spectrum, corresponding to the 3p(delta)1Pi state, Renner-Teller and Herzberg-Teller coupling of electronic and vibrational angular momentum are revealed. It is suggested that these mixings are properties of the N2O(+)Pi ion core.

Patsilinakou, E.↗

NASA NTRS1991

High-resolution threshold photoionization of N2O

Pulsed field ionization (PFI) has been used in conjunction with a coherent VUV source to obtain high-resolution threshold photoelectron spectra for the (000), (010), (020), and (100) vibrational states of the N2O(+) cation. Simulations for the rotational profiles of each vibronic level were obtained by fitting the Buckingham-Orr-Sichel equations using accurate spectroscopic constants for the ground states of the neutral and the ion. The relative branch intensities are interpreted in terms of the partial waves of the outgoing photoelectron to which the ionic core is coupled and in terms of the angular momentum transferred to the core.

Wiedmann, R. T.↗

NASA NTRS1985

Analysis of vibronic transitions in titanium doped sapphire using the temperature of the fluorescence spectra

An analysis of the fluorescence spectra of titanium-doped sapphire crystals for temperatures ranging from 13 to 578 K is made. Zero- and multiphoton assisted electronic transitions are observed at temperatures below 125 K. Zero-phonon transition energies agree with previously reported measured and predicted values. Photon-assisted transitions suggest that two principle modes of lattice vibrations with energies of 220 and 260/cm are coupled to the electronic 2T2g state. A single phonon energy of 173/cm is observed to couple to the 2Eg electronic state. Crossover energy is estimated to be about 11,800/cm using a simple harmonic approximation. Lineshape analysis is performed. The fluorescence lifetime as measured to be a constant 3.9 microsec below 150 k decreasing to 2.9 microsec at 300 K.

Byvik, C. E.↗