Fluorodensitometric determination of compounds containing primary amino groups with o-phthalaldehyde after separation by HPTLC

Summary The applicability to TLC of the o-phthalaldehydereaction with compounds containing primary amino groups is demonstrated. o-Phthalaldehydehyde rapidly forms fluorescent derivatives with primary amines in the presence of mercaptoethanol at room temperature. The reaction is carried out as a dipping procedure and is applied to the quantitative determination of some sympaticomimetics, central stimulants and hallucinogens in the picomole range.     

用Gaussian 98程序计算钪和钛原子价层电子组态能量

用Gaussian98程序计算了钪和钛原子的价电子组态能量。计算表明,Hartree-Fock(HF)迭代应采用可靠性较高的QC标准方法,所得的波函数要进行稳定性分析,根据布居分析调整电子的初始占据轨道,以便最终得到所需要的原子组态,在全组态相互作用CASSCF计算中,需要用关键词GUESS=ALTER选择适当的活动组态空间,计算结果说明,随着计算从基态转向激发态,从原子序数小的钪转向原子序数大的钛,需要考虑的因素明显加多,根据HF,QCISD（T）和PM4SDTQ计算得到Sc:3d^254s(^4F)与Sc:3d4s^2(^2D)的能量差分别是96.80,152.92和149.10KJ/mol,与实验值138.75KJ/mol相一致,根据HF,QCISD（T）和CASSCF（4,5）计算得到Ti:3d^34s(^5F)和Ti:3d^24s^2(^3F)的能量差分别为57.85,91.74和82.06KJ/mol,与实验值80.88KJ/mol相一致。