355nm激光作用下质子化丙酮-水团簇的多光子电离质谱  

Multiphoton Ionization-Mass Spectrom of Protonated Acetone-Water Clusters At 355 nm

作　　者：王仍[1] 孔祥和[1] 张树东[1] 张霞[2] 

机构地区：[1]曲阜师范大学物理工程学院,山东曲阜273165 [2]曲阜师范大学激光研究所,山东曲阜273165

出　　处：《光子学报》2007年第6期1124-1127,共4页Acta Photonica Sinica

基　　金：曲阜师范大学博士科研启动基金资助

摘　　要：为研究由氢键形成的超分子体系内的质子化构型,利用355nm多光子电离(MPI)技术结合飞行时间质谱(TOF-MS)得到丙酮和水的系列团簇质谱.实验观察到的主要产物是质子化的丙酮水团簇.其团簇构型归纳为(CH3COCH3)n(H2O)n-2H+,(CH3COCH3)n(H2O)n-1H+和(CH3COCH3)n(H2O)nH+.利用Gaussian98程序优化了团簇的离子态构型,通过频率验证了构型的稳定性,并给出了相关能量和零点修正能.Acetone-water clusters were ionized with 355 nm laser and cluster ions were detected by a time- of-flight mass spectrometer. Three series protonated cluster ions such as （CH3COCHa）n-（H2O）n-2 H^＋, （CH3COCH3）n-（H2O）n-1 H＋ and （CH3COCH3）n-（H2O）nH＋ were observed. Ab-initio calculation was used to study the equilibrium structures of （CH3COCH3）n-（H2O）n--2 H^＋. The electric charge distributing of the （CH3COCH3）4 （H20）2H^＋ was given. It was the （H2O）nH＋ which determined the whole configuration of the （CH3COCH3）n-2-（H2O）. H^＋. were even given. Besides, the energy and zero point energy of the clusters

关 键 词：多光子电离质谱 丙酮-水团簇 质子化 

分 类 号：O644.18[理学—物理化学]