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【期刊论文】3-硝基-1, 2, 4-三唑-5-酮钾配合物的制备、晶体结构和量子化学研究
宋纪蓉, 宋纪蓉*, 陈兆旭, 肖鹤鸣, 胡荣祖, 李福平, 郁开北
化学学报,1998,56,270~277,-0001,():
-1年11月30日
通过3-硝基-1,2,4-三唑-5-酮(NT0)与氢氧化钾水溶液反应,制备了标题配合物,并用TG,元素分析,红外光谱分析对它进行了表征.其结构用单晶分析法测定,所得晶体学参数为α=0.6408(1),6=0.8218(1),c=1.2626(1)nm,β=100.63°(1),V=0.6535(1)nm3,Z=4,Dc=1.892g•cn-3,μ=0.785mm-1,F(000)=376;晶体属单斜晶系,空间群为P21/n,最终偏离因子R为0.0246用EHMo计算表明,标题化合物主要是靠静电引力形成的配合物,中心原子K与H2O的配位较K与Nm环的结合弱,预示热解优先脱水。
NT0钾配合物,, 制备,, 晶体结构,, EHMO计算
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宋纪蓉, 张建刚, 李文哲, 史红兵, 黄洁, 马海霞, 徐抗震
西北大学学报,2002,32(3):217~220,-0001,():
-1年11月30日
对苹果深加工进行系统研究。提出了以苹果汁为原料生产苹果酒和苹果乳酸饮品;提出了可利用榨汁后的苹果废渣生产柠檬酸、膳食纤维和果胶,同时,阐述了利用碰果、落果等不宜作为鲜果食用的苹果生产食用酒精和苹果白酒。
苹果, 果酒, 柠檬酸, 膳食纤维, 果胶, 食用酒精, 苹果白酒
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【期刊论文】Na(NTO)(H2O)的制备、晶体结构及热力学性质研究
宋纪蓉, 宋纪蓉*, 马海霞, 孙晓红, 董武, 胡荣祖
化学学报,2001,59(11):1956~1951,-0001,():
-1年11月30日
利用氧化纳溶液与NTO水溶液进行反应制备了题化合物并培养出单晶,通过X射线单晶结构分板法测定分子结构和晶体结构,其分子式可表示为Na(NTO)(H2O),晶体属单斜晶系,P21/e空间群,晶体学参数为:α=0.6303(1)nm;b=0。8285(1)nm,c=1.1574(2)nm,β=103.85(1)a,V=0.5868(2)nm3,Dc=1.925g/cm3,Z=4,F(000)=344,p=0.238mm-1,R=0.0259。通过Na(NTO)(H2O)在水中溶解焓的测定,算得其标准生在焓、晶格焓和晶格能。
氢氧化钠,, NTO,, 制备,, 晶体结构,, 能力学性质
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【期刊论文】Production of Citric Acid from Apple Pomace Enzymolyzed by Cellulase
宋纪蓉, SONG Ji-rong, HUANG Jie, XU Kang-zhen, ZHAO Qiao-yun
The Chinese Journal of Process Engincering, 2003, 3 (5): 423~427,-0001,():
-1年11月30日
Cellulase can evidently incerase th content of glucose and has a singiflicant effect on the production of citric acid from apple pomace by Aspergillus niger. Based on experiments, a cellulolytic enzyme named cellulase A6 was found able to produce about 170g glucose from 1kg dried apple pomace after 12h reaction, with cellulase comcentration of 20U/g the medium at 50℃, natural pH without pretreatment of alkali. Using the treated apple pomace as a liquid apple pomace at 35℃ in 3d or 30℃ in 5d with flask rotation speed of 210r/min, and the conversion of citric acid could reach 80% based on the amount of sugar consumed.
Citric acid, apple pomace, cellulase, fermentation
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宋纪蓉, S. Jirong, C. Zhaoxu, Hu Rongzu*, X. Heming, and L. Fuping
Journal of Thermal Analysis and Calorimetry, Vol. 58 (1999) 257-267,-0001,():
-1年11月30日
The single crystal of lead salt of 3-nitro- 1, 2, 4-triazol-5-one (NTO), [Pb(NTO)2.H20] was prepared and its structure was determined by a four-circle X-ray diffractometer. The crystal is monoclinic, its space group is P21/n with crystal parameters of a=0.7262(1) rim, b=1.2129(2)nm, c=1.2268(3)nm, [3=90.38(2)o, V=1.0806(2)nm3, Z=4, Dc=2.97gcm-3, p.=157.83cm-1, F(000)=888. The final R is 0.027. By using SCF-PM3-MO method we obtained optimized geometry for [Pb(NTO)2.H20] and particularly positions for hydrogen atoms. Through the analyses of MO levels and bond orders it is found that Pb atom bond to ligands mainly with its 6p, and 6py AOs. The thermal decomposition experiments are elucidated when [Pb(NTO)z.H20] is heated, ligand water is dissociated first and NO2 group has priority of leaving. Based on the thermal analysis, the thermal decomposition mechanism of [Pb(NTO)2.H20] has been derived. The lattice enthalpy and its lattice energy were also estimated.
crystal structure,, lattice energy,, lattice enthalpy,, lead salt of NTO,, preparation,, quantum chemical calculation,, thermal decomposition mechanism
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