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Cavity Ringdown Spectroscopy of PH2 Radical in 465-555 nm
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作者 赵东锋 秦成兵 +1 位作者 张群 陈旸 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2011年第1期8-15,I0003,共9页
Absorption spectra of jet-cooled PH2 radicals were recorded in the wavelength range of 465- 555 nm using cavity ringdown spectroscopy. The PH2 radicals were produced in a supersonic jet by pulsed direct current discha... Absorption spectra of jet-cooled PH2 radicals were recorded in the wavelength range of 465- 555 nm using cavity ringdown spectroscopy. The PH2 radicals were produced in a supersonic jet by pulsed direct current discharge of a mixture of PHa and SF6 in argon. Seven vibronic bands with fine rotational structures have been observed and assigned as 0 0^, 2 0^n, and 2 1^n (n=1- 3) bands of the A^2A1- X~ 2B1 electronic transition. Rotational assignments and rotational term values for each band were re-identified, and the molecular parameters including rotational constants, centrifugal distortion constants, and spin-rotation interaction constants were also improved with reasonably high precision. In addition, large perturbations observed in each quantum number of total angular momentum of the a axis level of the excited vibronic states were briefly discussed. 展开更多
关键词 ph2 radical DC discharge Cavity ringdown spectroscopy
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用耦合簇方法及相关一致基研究PH_2(X^2B_1)自由基的解析势能函数
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作者 张东玲 汤清彬 +2 位作者 张金平 施德恒 余本海 《物理学报》 SCIE EI CAS CSCD 北大核心 2009年第8期5323-5328,共6页
利用耦合簇方法和Dunning等提出的系列相关一致基对PH2自由基的基态结构进行优化,并使用优选出的cc-pV5Z基组对其进行频率计算.结果表明,平衡核间距RP—H=0.14185nm,键角αHPH=91.8624°,离解能De(HP—H)=3.483eV,对称伸缩振动频率... 利用耦合簇方法和Dunning等提出的系列相关一致基对PH2自由基的基态结构进行优化,并使用优选出的cc-pV5Z基组对其进行频率计算.结果表明,平衡核间距RP—H=0.14185nm,键角αHPH=91.8624°,离解能De(HP—H)=3.483eV,对称伸缩振动频率ν1(a1)=2399.9781cm-1,弯曲振动频率ν2(a1)=1128.4213cm-1,反对称伸缩振动频率ν3(b2)=2407.8374cm-1.在此基础上采用多体项展式理论导出了PH2自由基的解析势能函数,其等值势能图准确再现了PH2自由基分子的平衡结构特征和动力学特征. 展开更多
关键词 ph2自由基 多体项展式理论 解析势能函数
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