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【期刊论文】Preparation, crystal structure and quantum chemical investigation of [Li(NTO)(H2O)2]
宋纪蓉, SONG Jirong, CHEN Zhaoxu, XlAO Heming, HU Rongzu, and LI Fuping
Chinese Science Bulletin Vol. 44 No.3 February 1999,-0001,():
-1年11月30日
[Li(NTO)(H2O)2] was prepared by mixing the aqueous solution of 3-nitro-1, 2, 4-triazol-5-one (NTO) and lithium hydroxide. The crystal structure of [Li(NTO)(H2O)2] was determined by single crystal diffraction analysis. The crystal is monoclinic, space group P21/n with crystal parameters of α=0.742 0(2)nm, b=0.344 9(1)nm, c=2.490 6(3)nm, β=94.89(1)α, Z=4, Dc=1.799g. cm 3, V=0.635nm3, μ=l.591cm-1, F(000)=392. The finaIR is 0.051. TheMNDOMOcalculation shows that the coordinate bonds of title compound possess certain extent of covalent character. 02 atom of NTO anion is bonded to Li atom; the nitro group will be lost first when NTO is decomposed.
NTO,, lithium coordination,, crystal structure,, MNDO MO method.,
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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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【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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【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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