物理化学学报 >> 2006, Vol. 22 >> Issue (08): 987-992.doi: 10.3866/PKU.WHXB20060816
卫立夏;杨斌;王晶;黄超群;盛六四;齐飞
WEI Li-Xia;YANG Bin;WANG Jing;HUANG Chao-Qun SHENG Liu-Si;QI Fei
摘要: 研究了在9.84 – 11.80 eV光子能量范围内1-丙醇和2-丙醇的光电离和离解光电离,测量了1-丙醇离解电离产生的碎片离子CH3CH2CH2OH+, CH3CH2CHOH+, CH2CH2OH+, CH3CH2CH2+, CH3CH=CH2+和CH2OH+及2-丙醇离解电离产生的碎片离子CH3CH(OH)CH3+, CH3C(OH)CH3+, CH3CHOH+, CH2=CHOH+, CH3CHCH3+和CH3CH=CH2+的光电离效率谱,得到了这些离子的出现势。结合从头算理论计算,给出了1-丙醇的碎片离子CH3CH2CHOH+, CH2CH2OH+, CH3CH2CH2+, CH3CH=CH2+, CH2OH+和2-丙醇的碎片离子CH3C(OH)CH3+, CH3CHOH+, CH2=CHOH+, CH3CHCH3+, CH3CH=CH2+等的解离通道和解离能。理论计算结果与实验结果符合得很好。