Acta Phys. -Chim. Sin. ›› 2006, Vol. 22 ›› Issue (08): 987-992.doi: 10.3866/PKU.WHXB20060816
• ARTICLE •
WEI Li-Xia;YANG Bin;WANG Jing;HUANG Chao-Qun SHENG Liu-Si;QI Fei
The photoionization and dissociative photoionization of 1- and 2-propanol have been studied at the photon energy range of 9.84 - 11.80 eV. Photoionization efficiency spectra for ions CH3CH2CH2OH+, CH3CH2CHOH+, CH2CH2OH+, CH3CH2CH2+, CH3CH=CH2+, CH2OH+ from 1-propanol and CH3CH(OH)CH3+, CH3C(OH)CH3+, CH3CHOH+, CH2=CHOH+, CH3CHCH3+, CH3CH=CH2+ from 2-propanol have been measured. In addition, the energetics of the dissociative photoionization has been examined by ab initio Gaussian-3 (G3) calculations. The computational results are useful in establishing the dissociation channels near the ionization thresholds. With the help of G3 results, the dissociation channels for the formation of the fragment ions CH3CH2CHOH+, CH2CH2OH+, CH3CH2CH2+, CH3CH=CH2+, CH2OH+ from 1-propanol and CH3C(OH)CH3+, CH3CHOH+, CH2=CHOH+, CH3CHCH3+, CH3CH=CH2+ from 2-propanol have been established. The G3 results are in fair to excellent agreement with the experimental data.