Soft X-ray emission spectroscopy of polycyclic aromatic hydrocarbons

多環式芳香族化合物の軟X線分光

村松 康司; 冨澤 加奈; Denlinger, J. D.*; Perera, R. C. C.*

Muramatsu, Yasuji; Tomizawa, Kana; Denlinger, J. D.*; Perera, R. C. C.*

多環式芳香族化合物(PAH)のCKX線発光スペクトルを測定した。分子を構成する炭素原子のうち、分子端の水素化された炭素原子の割合が高いほど、発光ピークのエネルギー位置が高エネルギー側にシフトした。分子軌道計算による解析から、このエネルギーシフトは上記二種類の炭素原子の割合に依存することが確認された。

High-resolution CK X-ray emission spectra of polycyclic aromatic hydrocarbons (PAH) were measured using synchrotron radiation. The main peak energies in the PAH X-ray spectra shifted to a higher energy region as the ratio of hydrogenated outer carbon atoms to the non-hydrogenated inner carbon atoms increased. Discrete variational (DV)-X molecular orbital calculations provided theoretical confirmation that the spectral features depend on the ratio of hydrogenated/non-hydrogenated carbon atoms, which suggests that the features around the main peaks provide the information of the degree of hydrogenation in PAH compounds.