中国物理B ›› 2009, Vol. 18 ›› Issue (9): 3865-3869.doi: 10.1088/1674-1056/18/9/041

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One-colour resonant two-photon ionization spectrum of the 1-fluoronaphthalene dimer and ab initio calculation

刘业超, 张树东, 张明霞, 孙淼, 孔祥和   

  1. Shandong Provincial Key Laboratory of Laser Polarization and Information Technology, Department of Physics, Qufu Normal University, Qufu 273165, China
  • 收稿日期:2008-12-11 修回日期:2009-05-04 出版日期:2009-09-20 发布日期:2009-09-20
  • 基金资助:
    Project supported by the Doctoral Special Fund of Qufu Normal University of China.

One-colour resonant two-photon ionization spectrum of the 1-fluoronaphthalene dimer and ab initio calculation

Liu Ye-Chao(刘业超), Zhang Shu-Dong(张树东)†, Zhang Ming-Xia(张明霞), Sun Miao(孙淼), and Kong Xiang-He(孔祥和)   

  1. Shandong Provincial Key Laboratory of Laser Polarization and Information Technology, Department of Physics, Qufu Normal University, Qufu 273165, China
  • Received:2008-12-11 Revised:2009-05-04 Online:2009-09-20 Published:2009-09-20
  • Supported by:
    Project supported by the Doctoral Special Fund of Qufu Normal University of China.

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摘要： The one-colour resonant two-photon ionization (R2PI) spectrum of the 1-fluoronaphthalene (1FN) dimer has been studied in the wavelength range of 304 to 322~nm by using a supersonic molecular beam and time-of-flight mass spectrometry. Compared with the original band 000 (at 313.8~nm) of the S1 ≤ftarrow S0 transition of the 1FN monomer, a red-shifted band was observed in the 1FN dimer spectrum at about 315~nm with a relatively large linewidth, nearly 2~nm. Based on the consideration of inductive effect and ab initio calculations, this red-shifted band is assigned to the first electronic excited transition of the 1FN dimer. A possible geometric structure of the 1FN dimer is also obtained with calculations that the two 1FN molecules are combined through two hydrogen bonds which are formed between the hydrogen atom of a molecule and the fluorine atom of a neighbouring molecule. A time-dependent calculation was also carried out and the results are consistent with the experimental data.

Abstract: The one-colour resonant two-photon ionization (R2PI) spectrum of the 1-fluoronaphthalene (1FN) dimer has been studied in the wavelength range of 304 to 322 nm by using a supersonic molecular beam and time-of-flight mass spectrometry. Compared with the original band $0^0_0$ (at 313.8 nm) of the $S_1\leftarrow S_0$ transition of the 1FN monomer, a red-shifted band was observed in the 1FN dimer spectrum at about 315 nm with a relatively large linewidth, nearly 2 nm. Based on the consideration of inductive effect and ab initio calculations, this red-shifted band is assigned to the first electronic excited transition of the 1FN dimer. A possible geometric structure of the 1FN dimer is also obtained with calculations that the two 1FN molecules are combined through two hydrogen bonds which are formed between the hydrogen atom of a molecule and the fluorine atom of a neighbouring molecule. A time-dependent calculation was also carried out and the results are consistent with the experimental data.

Key words: 1-fluoronaphthalene dimer one-colour resonant two-photon ionization spectrum, 1FN dimer structure, ab initio calculation, time-dependent calculation

中图分类号:  (Autoionization, photoionization, and photodetachment)

  • 33.80.Eh
33.15.Fm (Bond strengths, dissociation energies) 33.70.Jg (Line and band widths, shapes, and shifts) 33.80.Rv (Multiphoton ionization and excitation to highly excited states (e.g., Rydberg states)) 36.40.Mr (Spectroscopy and geometrical structure of clusters)