Ionization and Dissociation of Nitrosyl Chloride Molecule in the Intense Femtosecond Laser Field  

作　　者：姚立 葛茂发 王殿勋 吴成印 徐楠 龚旗煌 

机构地区：[1]Beijing National Laboratory for Molecular Science, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China [2]State Key Laboratory for Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871, China

出　　处：《Chinese Journal of Chemistry》2006年第7期867-871,共5页中国化学（英文版）

基　　金：Project supported by the Hundred Talent Fund of Chinese Academy of Sciences and the National Natural Science Foundation of China （Nos. 20477047, 20473094）.

摘　　要：Ionization and dissociation of nitrosyl chloride CINO were studied using femtosecond laser mass spectra technique. Strong fragmental ions NO^＋ and Cl^＋ were observed with the laser intensity varied from 3.2× 10^14 to 2.5×10^15 W/cm^2. These fragmental ions were attributed to the direct dissociation of the parent ions. Electronic structure calculations were also carried out with Hartree-Fock, density functional and correlated levels of theory to understand the possible fragmentation pathways. The very low N-Cl bond energy in the parent ion of nitrosyl chloride is a clear reason for the absence of CINO^＋ and CIN^＋ ion peaks from the femtosecond laser mass spectrum.Ionization and dissociation of nitrosyl chloride CINO were studied using femtosecond laser mass spectra technique. Strong fragmental ions NO^＋ and Cl^＋ were observed with the laser intensity varied from 3.2× 10^14 to 2.5×10^15 W/cm^2. These fragmental ions were attributed to the direct dissociation of the parent ions. Electronic structure calculations were also carried out with Hartree-Fock, density functional and correlated levels of theory to understand the possible fragmentation pathways. The very low N-Cl bond energy in the parent ion of nitrosyl chloride is a clear reason for the absence of CINO^＋ and CIN^＋ ion peaks from the femtosecond laser mass spectrum.

关 键 词：nitrosyl chloride intense femtosecond laser field electronic structure calculation IONIZATION DISSOCIATION 

分 类 号：O623.2[理学—有机化学]