The novel complex tri(o chlorobenzyl)tin ferrocenecarboxylate have been synthesized.The crystal structure of the complex has been determined by X ray diffraction.The crystal belong to orthorhombic with space group Pbc...The novel complex tri(o chlorobenzyl)tin ferrocenecarboxylate have been synthesized.The crystal structure of the complex has been determined by X ray diffraction.The crystal belong to orthorhombic with space group Pbca with a=0.1242(5), b=1.7242(7), c=3.0583(13)nm, V=5.928(4)nm3,Z=8, Dc=1.623g·cm-3,μ(MoKα)= 0.1631cm-1,F(000)=2896,R1=0.0461,wR2=0.0931. The bond lengths of Sn C is 0.2148(4), 0.2152(6) and 0.2176(5)nm, respectively. The Sn O is 0.2073(4)nm. The tin atom has a distorted tetrahedral geometry. The study on title complex has been performed,with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stability of the complex, some frontier molecular orbital energies, the populations of the atomic net charges in complex and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 184267.展开更多
The tetra(p-chlorobenzyl)tin has been synthesized via reaction of p-chlo robenzyl chloride with Sn and structurally determined by X-ray diffraction met hod. The crystal belongs to orthorhombic space group Fdd2 with a=...The tetra(p-chlorobenzyl)tin has been synthesized via reaction of p-chlo robenzyl chloride with Sn and structurally determined by X-ray diffraction met hod. The crystal belongs to orthorhombic space group Fdd2 with a=2.1243(6), b=2. 2136(6), c=1.1242(3)nm,V=5.286(2)nm3, Z=8, Dx=1.560Mg·m-3, ì(MoKá)=13.86 cm-1,F(000)=2480,find R=0.0331 for 2191 unique reflection . The bo nd lengths of Sn-C is 0.2167,0.2183nm,respectively.The tin atom has a distorte d tetrahedral geometry. The study on title compound has been performed,with ab i nitio calculation by means of G98W package and taking Lanl2dz basis set.The stab ilities of the compound,some frontier molecular orbital energies,the populations of the atomic net charges in compound and composition characteristics of some f rontier molecular orbitals have been investigated. CCDC:180868.展开更多
The crystal structure of tricarbonylpentamethyldisilanylcyclopentadienyl chloro molybdenum complex [Mo(eta5 C5H4Si2Me5)(CO)3Cl] has been determined by X ray diffraction method.A quantum chemistry calculation by means ...The crystal structure of tricarbonylpentamethyldisilanylcyclopentadienyl chloro molybdenum complex [Mo(eta5 C5H4Si2Me5)(CO)3Cl] has been determined by X ray diffraction method.A quantum chemistry calculation by means of G98W package and taking LanL2DZ basis set.The crystal belongs to orthorhombic spacegroup Pbca with a=1.5812(5), b=1.7307(3), c=1.3339(2)nm,V=3.650(1)nm3, Z=8, Dc=1.495 g·cm-3, μ(Mo Kα)= 9.97cm-1,F(000)=1664,final R=0.027 for 2590 unique reflection . The bond lengths of Mo Cl and is 0.250nm,and Mo CO is 0.198～0.202nm. The Mo atom has a distorted tetrahedral cone geometry.展开更多
The dissolution enthalpy of the reactans and the products was determined by solution calorimetry.The calorimetric solvent is 2mol·L -1 HCl solution.A thermochemistry cycle was designed to obtain the enthalpy of c...The dissolution enthalpy of the reactans and the products was determined by solution calorimetry.The calorimetric solvent is 2mol·L -1 HCl solution.A thermochemistry cycle was designed to obtain the enthalpy of coordination reaction,Δ rH m=-479.321kJ·mol -1 ,and the standardmolar enthalpy of formation of the new complex La(Tyr)(Gly) 3Cl 3·3H 2O(s) was calculated,Δ fH m[La(Tyr)(Gly) 3Cl 3·3H 2O,s298.2K]=-4695.266kJ·mol -1 .展开更多
In the NaOH-NaCl-CH2（NH2）COOH medium,the reagent reacts with cethyltrimethylammonium bromide（CTMAB）and cteylpyrid-inium bromide（CPB）to form blue purple complex of component ratio 1∶2.The absorption maximum of t...In the NaOH-NaCl-CH2（NH2）COOH medium,the reagent reacts with cethyltrimethylammonium bromide（CTMAB）and cteylpyrid-inium bromide（CPB）to form blue purple complex of component ratio 1∶2.The absorption maximum of the complex is at 565nm.The range of Beer’s law to be obeyed,apparent molar absorptivity and critical micelle concentration of the cationic surfactants were determined,respectively.展开更多
The catalyst of nanometer Ag supported on nanomter TiO 2 particles was synthesized by irradiating TiO 2 colloid containing AgNO 3 solution.Its properties were characterized by IR,TEM,XRD,and BET methods.The size of ca...The catalyst of nanometer Ag supported on nanomter TiO 2 particles was synthesized by irradiating TiO 2 colloid containing AgNO 3 solution.Its properties were characterized by IR,TEM,XRD,and BET methods.The size of catalyst particles was 12 1nm,composed by 95% TiO 2 and 5% Ag.The experimental results showed that the catalyst of nanometer Ag supported on nanometer TiO 2 improved obviously the activity and selectivity in the epoxidation of styrene.展开更多
The easily accesible azidoethylacetate 1 was reacted with ferrocene formaldehyde to give azide 2, which was allowed to take Staudinger reactions with triphenylphosphine to give iminophosphorane 3. The imidazolinone de...The easily accesible azidoethylacetate 1 was reacted with ferrocene formaldehyde to give azide 2, which was allowed to take Staudinger reactions with triphenylphosphine to give iminophosphorane 3. The imidazolinone derivatives containing ferrocenyl moity(5a～5e) were synthesized by a tandem aza-Wittig reaction of 3 with phenyl isocynate and substituted phenols in yields of 57%～69%. The structures of title compounds were confirmed by elemental analysis,IR and 1H NMR. Two of them 5b and 5c exhibited fungicidal activities and none of them has herbicidal activity and insecticidal activity.展开更多
文摘The novel complex tri(o chlorobenzyl)tin ferrocenecarboxylate have been synthesized.The crystal structure of the complex has been determined by X ray diffraction.The crystal belong to orthorhombic with space group Pbca with a=0.1242(5), b=1.7242(7), c=3.0583(13)nm, V=5.928(4)nm3,Z=8, Dc=1.623g·cm-3,μ(MoKα)= 0.1631cm-1,F(000)=2896,R1=0.0461,wR2=0.0931. The bond lengths of Sn C is 0.2148(4), 0.2152(6) and 0.2176(5)nm, respectively. The Sn O is 0.2073(4)nm. The tin atom has a distorted tetrahedral geometry. The study on title complex has been performed,with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stability of the complex, some frontier molecular orbital energies, the populations of the atomic net charges in complex and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 184267.
文摘The tetra(p-chlorobenzyl)tin has been synthesized via reaction of p-chlo robenzyl chloride with Sn and structurally determined by X-ray diffraction met hod. The crystal belongs to orthorhombic space group Fdd2 with a=2.1243(6), b=2. 2136(6), c=1.1242(3)nm,V=5.286(2)nm3, Z=8, Dx=1.560Mg·m-3, ì(MoKá)=13.86 cm-1,F(000)=2480,find R=0.0331 for 2191 unique reflection . The bo nd lengths of Sn-C is 0.2167,0.2183nm,respectively.The tin atom has a distorte d tetrahedral geometry. The study on title compound has been performed,with ab i nitio calculation by means of G98W package and taking Lanl2dz basis set.The stab ilities of the compound,some frontier molecular orbital energies,the populations of the atomic net charges in compound and composition characteristics of some f rontier molecular orbitals have been investigated. CCDC:180868.
文摘The crystal structure of tricarbonylpentamethyldisilanylcyclopentadienyl chloro molybdenum complex [Mo(eta5 C5H4Si2Me5)(CO)3Cl] has been determined by X ray diffraction method.A quantum chemistry calculation by means of G98W package and taking LanL2DZ basis set.The crystal belongs to orthorhombic spacegroup Pbca with a=1.5812(5), b=1.7307(3), c=1.3339(2)nm,V=3.650(1)nm3, Z=8, Dc=1.495 g·cm-3, μ(Mo Kα)= 9.97cm-1,F(000)=1664,final R=0.027 for 2590 unique reflection . The bond lengths of Mo Cl and is 0.250nm,and Mo CO is 0.198～0.202nm. The Mo atom has a distorted tetrahedral cone geometry.
文摘The dissolution enthalpy of the reactans and the products was determined by solution calorimetry.The calorimetric solvent is 2mol·L -1 HCl solution.A thermochemistry cycle was designed to obtain the enthalpy of coordination reaction,Δ rH m=-479.321kJ·mol -1 ,and the standardmolar enthalpy of formation of the new complex La(Tyr)(Gly) 3Cl 3·3H 2O(s) was calculated,Δ fH m[La(Tyr)(Gly) 3Cl 3·3H 2O,s298.2K]=-4695.266kJ·mol -1 .
文摘In the NaOH-NaCl-CH2（NH2）COOH medium,the reagent reacts with cethyltrimethylammonium bromide（CTMAB）and cteylpyrid-inium bromide（CPB）to form blue purple complex of component ratio 1∶2.The absorption maximum of the complex is at 565nm.The range of Beer’s law to be obeyed,apparent molar absorptivity and critical micelle concentration of the cationic surfactants were determined,respectively.
文摘The catalyst of nanometer Ag supported on nanomter TiO 2 particles was synthesized by irradiating TiO 2 colloid containing AgNO 3 solution.Its properties were characterized by IR,TEM,XRD,and BET methods.The size of catalyst particles was 12 1nm,composed by 95% TiO 2 and 5% Ag.The experimental results showed that the catalyst of nanometer Ag supported on nanometer TiO 2 improved obviously the activity and selectivity in the epoxidation of styrene.
文摘The easily accesible azidoethylacetate 1 was reacted with ferrocene formaldehyde to give azide 2, which was allowed to take Staudinger reactions with triphenylphosphine to give iminophosphorane 3. The imidazolinone derivatives containing ferrocenyl moity(5a～5e) were synthesized by a tandem aza-Wittig reaction of 3 with phenyl isocynate and substituted phenols in yields of 57%～69%. The structures of title compounds were confirmed by elemental analysis,IR and 1H NMR. Two of them 5b and 5c exhibited fungicidal activities and none of them has herbicidal activity and insecticidal activity.
