The multiphoton ionization spectra of pyridine and pyrazine

Turner, R. E.; Vaida, Veronica; Molini, Carol A.; Berg, Jacqueline O.; Parker, David H.

doi:10.1016/0301-0104(78)85036-8

Cited by 59 publications

(29 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Since we measured the picosecond REMPI spectra with a stabilized laser power, the observed band intensities are compared directly with calculated FranckCondon intensities in a later section of this paper. The two bands [marked in Figure 3a] seen in the high-energy side, at +77 and +158 cm -1 , of the band origin of pyrazine-H4 was also seen previously, 21 although no assignment has been made. We found that these bands disappear in a nanosecond (2 + 1) REMPI spectrum of pyrazine cooled in a pulsed supersonic jet, indicating that these are hot bands.…”

Section: A Picosecond (2 + 1) Rempi Spectrum Of Rydbergmentioning

confidence: 62%

3s Rydberg and Cationic States of Pyrazine Studied by Photoelectron Spectroscopy

et al. 2008

View full text Add to dashboard Cite

We have studied 3s(n-1 and pi-1) Rydberg states and D0(n-1) and D1(pi-1) cationic states of pyrazine [1,4-diazabenzene] by picosecond (2 + 1) resonance-enhanced multiphoton ionization (REMPI), (2 + 1) REMPI photoelectron imaging, He(I) ultraviolet photoelectron spectroscopy (UPS), and vacuum ultraviolet pulsed field ionization photoelectron spectroscopy (VUV-PFI-PE). The new He(I) photoelectron spectrum of pyrazine in a supersonic jet revealed a considerably finer vibrational structure than a previous photoelectron spectrum of pyrazine vapor. We performed Franck-Condon analysis on the observed photoelectron and REMPI spectra in combination with ab initio density functional theory and molecular orbital calculations to determine the equilibrium geometries in the D0 and 3s(n-1) states. The equilibrium geometries were found to differ slightly between the D0 and 3s states, indicating the influence of a Rydberg electron on the molecular structure. The locations of the D1-D0 and 3s(pi-1)-3s(n-1) conical intersections were estimated. From the line width in the D1 <-- S0 spectrum, we estimated the lifetime of D1 to be 12 fs for pyrazine and 15 fs for fully deuterated pyrazine. A similar lifetime was estimated for the 3s(pi-1) state of pyrazine by REMPI spectroscopy. The vibrational feature of D1 observed in the VUV-PFI-PE measurement differed dramatically from that in the UPS spectrum, which suggests that the high-n Rydberg (ZEKE) states converging to the D1 vibronic state are short-lived due to electronic autoionization to the D0 continuum.

show abstract

Section: A Picosecond (2 + 1) Rempi Spectrum Of Rydbergmentioning

confidence: 62%

3s Rydberg and Cationic States of Pyrazine Studied by Photoelectron Spectroscopy

et al. 2008

View full text Add to dashboard Cite

show abstract

“…Most notably, Turner et al (70) observed the first triplet state of pyrazine as a one-photon resonance in a three-photon ionization process. This resonance was extremely strong relative to the conventional one-photon absorption spectrum, demonstrating the sensitiv ity of the technique.…”

Section: Triplet Statesmentioning

confidence: 98%

Molecular Multiphoton Spectroscopy with Ionization Detection

Johnson¹,

Otis²

1981

Annu. Rev. Phys. Chem.

196

View full text Add to dashboard Cite

“…* excitations and CAS (10,10) for the n ? * excitations in the CASPT2 calculations 19 ; CAS (10,8) was used in both cases in the CASPT3 calculations. 39 Table 6 also lists the TD-B3LYP results.…”

Section: Pyrazinementioning

confidence: 99%

Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster—Configuration interaction method

Wan

2007

J Comput Chem

View full text Add to dashboard Cite

The ground state and the excited states of benzene, pyrimidine, and pyrazine have been examined by using the symmetry adapted cluster-configuration interaction (SAC-CI) method. Detailed characterizations and the structures of the absorption peaks in the vacuum ultraviolet (VUV), low energy electron impact (LEEI), and electron energy loss (EEL) spectra were theoretically clarified by calculating the excitation energy and the oscillator strength for each excited state. We show that SAC-CI has the power to well reproduce the electronic excitation spectra (VUV, LEEI, and EEL) simultaneously to an accuracy for both the singlet and the triplet excited states originated from the low-lying pi --> pi*, n --> pi*, pi --> sigma* and n --> sigma* excited states of the titled compounds. The present results are compared with those of the previous theoretical studies by methods, such as EOM-CCSD(T), STEOM-CCSD, CASPT2 and TD-B3LYP, etc.

show abstract

The multiphoton ionization spectra of pyridine and pyrazine

Cited by 59 publications

References 18 publications

3s Rydberg and Cationic States of Pyrazine Studied by Photoelectron Spectroscopy

3s Rydberg and Cationic States of Pyrazine Studied by Photoelectron Spectroscopy

Molecular Multiphoton Spectroscopy with Ionization Detection

Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster—Configuration interaction method

Contact Info

Product

Resources

About