摘要
The vibronic spectra of allyl-h5 (CH2CHCH2) and allyl-d5 (CD2CDCD2) radicals at 6.0–8.2 eV have been observed using 211 resonance-enhanced multiphoton ionization ~REMPI! spectroscopy.The allyl-h5 and allyl-d5 radicals were produced in the nozzle of a supersonic jet expansion by the pyrolysis of CH2CHCH2I and CD2CDCD2Br, respectively. Together with our previous study,Rydberg states of ns (n54 – 12) for allyl-h5 and (n54 – 10) for allyl-d5 have been observed in the
REMPI spectra. Prominent vibrational progressions with the spacings of ;440 cm21 in allyl-h5 and ;360 cm21 in allyl-d5 are observed in the s Rydberg series. The totally symmetric /CCC-bending mode is responsible for the vibrational progressions. Facilitated with ab initio calculated Franck–Condon factors, other vibrations ~CH2 rocking and C3 stretching! observed in the s Rydberg series
have also been identified. The adiabatic ionization energies, 65 59469 cm21 (8.13360.001 eV) for allyl-h5 and 65 527616 cm21 (8.12460.002 eV) for allyl-d5 , are extrapolated from the convergence of the observed ns Rydberg series.
REMPI spectra. Prominent vibrational progressions with the spacings of ;440 cm21 in allyl-h5 and ;360 cm21 in allyl-d5 are observed in the s Rydberg series. The totally symmetric /CCC-bending mode is responsible for the vibrational progressions. Facilitated with ab initio calculated Franck–Condon factors, other vibrations ~CH2 rocking and C3 stretching! observed in the s Rydberg series
have also been identified. The adiabatic ionization energies, 65 59469 cm21 (8.13360.001 eV) for allyl-h5 and 65 527616 cm21 (8.12460.002 eV) for allyl-d5 , are extrapolated from the convergence of the observed ns Rydberg series.
| 原文 | American English |
|---|---|
| 文章編號 | 10 |
| 期刊 | Journal of Chemical Physics |
| 卷 | 116 |
| 出版狀態 | Published - 2002 |