Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations

doi:10.1088/1674-1056/19/12/123602

中国物理B ›› 2010, Vol. 19 ›› Issue (12): 123602-123602.doi: 10.1088/1674-1056/19/12/123602

Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations

曾文碧¹, 张树东², 张海芳²

(1)Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan; (2)Shandong Provincial Key Laboratory of Laser Polarization and Information Technology, Department of Physics, Qufu Normal University, Qufu 273165, China

收稿日期:2010-01-21 修回日期:2010-03-15 出版日期:2010-12-15 发布日期:2010-12-15

Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations

Zhang Shu-Dong(张树东)^a)†, Zhang Hai-Fang(张海芳)^a), and Tzeng Wen-Bi(曾文碧)^b)

^a Shandong Provincial Key Laboratory of Laser Polarization and Information Technology, Department of Physics, Qufu Normal University, Qufu 273165, China; ^b Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan

Received:2010-01-21 Revised:2010-03-15 Online:2010-12-15 Published:2010-12-15

摘要/Abstract

摘要： This paper studies supersonic jet-cooled 1-fluoronaphthalene (1FN) clusters by ultraviolet (UV) laser ionization at 281 nm in a time-of-flight mass spectrometer. The (1FN)_n⁺ (n=1–3) series cluster ions are observed where the signal intensity decreases with increasing cluster size. The effects of sample inlet pressures and ionization laser fluxes to mass spectral distribution are measured. Using density functional theory calculations, it obtains a planar geometric structure of 1FN dimer which is combined through two hydrogen bonds. The mass spectra indicate that the intensity of 1FN trimer is much weaker than that of 1FN dimer and this feature is attributed to the fact that the dimer may form the first "shell" in geometric structure while the larger clusters are generated based on this fundamental unit.

Abstract: This paper studies supersonic jet-cooled 1-fluoronaphthalene (1FN) clusters by ultraviolet (UV) laser ionization at 281 nm in a time-of-flight mass spectrometer. The (1FN)_n⁺ (n=1–3) series cluster ions are observed where the signal intensity decreases with increasing cluster size. The effects of sample inlet pressures and ionization laser fluxes to mass spectral distribution are measured. Using density functional theory calculations, it obtains a planar geometric structure of 1FN dimer which is combined through two hydrogen bonds. The mass spectra indicate that the intensity of 1FN trimer is much weaker than that of 1FN dimer and this feature is attributed to the fact that the dimer may form the first "shell" in geometric structure while the larger clusters are generated based on this fundamental unit.

Key words: 1-fluoronaphthalene clusters, ultraviolet laser ionization, mass spectrum, density functional theory calculation

中图分类号:

31.15.E-

33.15.Fm (Bond strengths, dissociation energies) 33.80.Eh (Autoionization, photoionization, and photodetachment) 36.40.Cg (Electronic and magnetic properties of clusters) 36.40.Mr (Spectroscopy and geometrical structure of clusters)

张树东, 张海芳, 曾文碧. Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations[J]. 中国物理B, 2010, 19(12): 123602-123602.

Zhang Shu-Dong(张树东), Zhang Hai-Fang(张海芳), and Tzeng Wen-Bi(曾文碧). Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations[J]. Chin. Phys. B, 2010, 19(12): 123602-123602.

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Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations

Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations

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