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

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 ? 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 FROM AUTHOR]