1,10-邻二氮菲-苦味酸三元配合物分光光度法测定痕量铁

利用在醋酸 -醋酸钠缓冲溶液 (pH4.6)中Fe2 +与 1,10 -邻二氮菲 -苦味酸盐形成橙红色配合物的显色反应 ,建立了一种新的测定人发中痕量铁的分光光度法 ,用于正常人及患者头发中的痕量铁分析。     

链状聚醚用作萃取剂的研究——Ⅰ.三甘酰双(二苯胺)和四甘酰双(二苯胺)对裂变产物的萃取

本文报道了用两种链状聚醚对裂变产物的萃取研究结果。三甘酰双(二苯胺)和四甘酰双(二苯胺)的硝基苯溶液对锶、钡和希土元素的萃取率很高,萃取时以苦味酸为伴随离子。四甘酰双(二苯胺)能部分萃取铯。DTPA和EDTA可掩蔽希土,铁可作解掩蔽剂。在此基础上制定了一个从混合裂片中提取无载体碱土和希土两组核素的萃取流程,方法简单快速。     

Computational Study on Potassium Picrate Crystal

DFT calculation at the B3LYP level was performed on crystalline potassium picrate. The frontier bands are slightly fluctuant. The energy gap between the highest occupied crystal orbital (HOCO) and the lowest unoccupied crystal orbital (LUCO) is 0.121 a.u. (3.29 eV). The carbon atoms that are connected with the nitro groups make up the narrow lower energy bands, with small contributions from nitro oxygen and phenol oxygen. The higher energy bands consist of orbitals from the nitro groups and carbon atom. The potassium bears almost 1 a.u. positive charge. The potassium forms ionic bonding with the phenol oxygen and the nitro oxygen at the same time. The crystal lattice energy is predicted to be −574.40 kJ/mol at the B3LYP level determined with the effective core pseudopotential HAYWSC‐31G basis set for potassium and 6‐31G** basis set for other atoms.     

Structural and Preliminary Explosive Property Characterizations of New 3,4,5‐Triamino‐1,2,4‐triazolium (Guanazinium) Salts

Two new highly stable energetic salts were synthesized in reasonable yield by using the high nitrogen‐content heterocycle 3,4,5‐triamino‐1,2,4‐triazole and resulting in its picrate and azotetrazolate salts. 3,4,5‐Triamino‐1,2,4‐triazolium picrate (1) and bis(3,4,5‐triamino‐1,2,4‐triazolium) 5,5′‐azotetrazolate (2) were characterized analytically and spectroscopically. X‐ray diffraction studies revealed that protonation takes place on the nitrogen N1 (crystallographically labelled as N2). The sensitivity of the compounds to shock and friction was also determined by standard BAM tests revealing a low sensitivity for both. B3LYP/6–31G(d, p) density functional (DFT) calculations were carried out to determine the enthalpy of combustion (Δ_cH (1) =−3737.8 kJ mol⁻¹, Δ_cH (2) =−4577.8 kJ mol⁻¹) and the standard enthalpy of formation (Δ_fH° (1) =−498.3 kJ mol⁻¹, (Δ_fH° (2) =+524.2 kJ mol⁻¹). The detonation pressures (P (1) =189×10⁸ Pa, P (2) =199×10⁸ Pa) and detonation velocities (D (1) =7015 m s⁻¹, D (2) =7683 m s⁻¹) were calculated using the program EXPLO5.