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Crystal Structure and Thermodynamic Study of Ephedrine Hydrochloride C_(10)H_(16)NOCl(s)

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Chemical Research in Chinese Universities 2010年第2期26卷 304-308页

作者： YANG Wei-wei di you-ying LI Jing KONG Yu-xia College of Chemistry and Chemical Engineering Liaocheng University Liaocheng 252059 P. R. China

The crystal structure of ephedrine hydrochloride was determined by means of X-ray crystallography. The crystal system of the compound is monoclinic, and the space group is P21. Unit cell parameters are a=0.7308（6） nm, b=0.6124（5） nm, and c= 1.2618（11） nm; β=90°, β= 102°, and γ =90°; Z=2. Low-temperature heat capacities of the title compound were measured with an improved precision automated adiabatic calorimeter over a temperature range from 77 K to 396 K. A polynomial equation of the heat capacities as a function of temperature in the temperature region was fitted by the least-squares. Based on the fitted polynomial equation, the smoothed heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated and tabulated at the intervals of 5 K.

关键词： Ephedrine hydrochloride C10H16NOCl(s) X-ray crystallography Adiabatic calorimetry Low-temperature heat capacity Thermodynamic function

Low-temperature Heat Capacities and Thermodynamic Properties of Hydrated Sodium Cupric Arsenate [NaCuAsO_4·1.5H_2O(s)]

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Chemical Research in Chinese Universities 2007年第5期23卷 574-578页

作者： CHEN Jing-tao di you-ying TAN Zhi-cheng SUN Li-xian College of Chemistry and Chemical Engineering Liaocheng University Liaocheng 252059 P. R. China Department of Chemistry Shaanxi Educational College Xi＇an 710061 P. R. China Thermochemistry Laboratory Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian i 16023 P. R. China

Low-temperature heat capacities of the solid compound NaCuAsO4·1.5H2O（s）were measured using a precision automated adiabatic calorimeter over a temperature range of T=78 K to T=390 K.A dehydration process occurred in the temperature range of T=368-374 *** peak temperature of the dehydration was observed to be TD=（371.828±0.146）K by means of the heat-capacity *** molar enthalpy and entropy of the dehydration were ΔDHm=（18.571±0.142）kJ/mol and ΔDSm=（49.946±0.415）J/（K·mol）,*** experimental values of heat capacities for the solid（Ⅰ）and the solid-liquid mixture（Ⅱ）were respectively fitted to two polynomial equations by the least square *** smoothed values of the molar heat capacities and the fundamental thermodynamic functions of the sample relative to the standard reference temperature 298.15 K were tabulated at an interval of 5 K.

关键词： NaCuAsO4·1.5H2O(s) Adiabatic calorimetry Heat capacity Thermodynamic function Dehydration process

Low Temperature Heat Capacities and Thermodynamic Properties of Zinc L-Threonate Zn(C_4H_7O_5)_2(s) by Adiabatic Calorimetry

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Chemical Research in Chinese Universities 2008年第5期24卷 603-607页

作者： CHEN Jing-tao di you-ying TAN Zhi-cheng CHEN San-ping GAO Sheng-li Department of Chemistry Shaanxi Educational College Xi＇an 710061 P. R. China College of Chemistry and Chemical Engineering Liaocheng University Liaocheng 252059 P. R. China Department of Chemistry Northwest University Xi＇an 710069 P. R. China

Low-temperature heat capacities of the solid compound Zn（C4H7O5）2（s） were measured in a temperature range from 78 to 374 K, with an automated adiabatic calorimeter. A solid-to-solid phase transition occurred in the temperature range of 295？322 K. The peak temperature, the enthalpy, and entropy of the phase transition were determined to be （316.269±1.039） K, （11.194±0.335） kJ？mol-1, and （35.391±0.654） J？K-1？mol-1, respectively. The experimental values of the molar heat capacities in the temperature regions of 78？295 K and 322？374 K were fitted to two polynomial equations of heat capacities（Cp,m） with reduced temperatures（X） and [X = f（T）], with the help of the least squares method, respectively. The smoothed molar heat capacities and thermodynamic functions of the compound, relative to that of the standard reference temperature 293.15 K, were calculated on the basis of the fitted polynomials and tabulated with an interval of 5 K. In addition, the possible mechanism of thermal decomposition of the compound was inferred by the result of TG-DTG analysis.

关键词： Zn(C4H7O5)2(s) Adiabatic calorimetry Low-temperature heat capacity Solid-to-solid phase transition Thermodynamic property TG-DTG

Low-temperature Heat Capacities and Thermodynamic Properties of Solid State Coordination Compound Zn(nicotinate)_2·H_2O(s)

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Chemical Research in Chinese Universities 2009年第4期25卷 526-531页

作者： CHEN Jing-tao di you-ying DAN Wen-yan HONG Yuan-ping YANG Wei-wei KONG Yu-xia HE Dong-hua TAN Zhi-cheng College of Chemistry and Chemical Engineering Liaocheng University Liaocheng 252059 P. R. China Department of Chemistry Shaanxi Educational College Xi ＇an 710061 P. R. China

A novel compound-monohydrated zinc nicotinate was prepared via room temperature solid phase synthesis and ball ***,chemical and elemental analyses and X-ray powder diffraction technique were applied to characterizing the structure and composition of the ***-temperature heat capacities of the solid coordination compound were measured by a precision automated adiabatic calorimeter over a temperature range from 77 to 400 K.A solid-solid phase transition process occurred in a temperature range of 321―342 K inferred according to the heat capacity curve,and the peak temperature,molar enthalpy and entropy of the phase transition of monohydrated zinc nicotinate were determined to be Ttrs=（340.584±0.829） K,ΔtrsHm=（12.682±0.041） kJ/mol and ΔtrsSm=（37.235±0.101） KJ/mol）.The experimental values of the molar heat capacities in the temperature regions of 77―321 K and 342―400 K were,respectively,fitted to two polynomial *** addition,the polynomial fitted values of the molar heat capacities and fundamental thermodynamic functions of the sample relative to the standard reference temperature 298.15 K were calculated and tabulated at intervals of 5 K.

关键词： Zinc nicotinate Adiabatic calorimeter Heat capacity Phase transition Thermodynamic function

吡啶-2,6-二甲酸氢锂的合成、结构及热化学性质

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高等学校化学学报 2013年第5期34卷 1208-1213页

作者：高振飞邸明哲邸友莹山东省化学储能与新型电池技术重点实验室聊城大学化学化工学院聊城252059 陕西省三原县妇幼保健院

以甲醇和水的混合溶液为溶剂,合成了吡啶-2,6-二甲酸氢锂Li(HDPC)(H2O)(s),利用X射线单晶衍射法表征了其晶体结构.用精密自动绝热热量计测量了其在78～378 K温区的低温热容.通过最小二乘法拟合得到摩尔热容随折合温度变化的多项式方程,... 详细信息

以甲醇和水的混合溶液为溶剂,合成了吡啶-2,6-二甲酸氢锂Li(HDPC)(H2O)(s),利用X射线单晶衍射法表征了其晶体结构.用精密自动绝热热量计测量了其在78～378 K温区的低温热容.通过最小二乘法拟合得到摩尔热容随折合温度变化的多项式方程,利用此方程计算出了化合物的舒平热容和各种热力学函数.设计合理的热化学循环,利用等温环境溶解-反应热量计分别测定所设计热化学反应的反应物和产物在选定溶剂中的溶解焓,通过计算得到反应焓为-(46.83±0.16)kJ/mol.利用Hess定律计算出吡啶-2,6-二甲酸氢锂的标准摩尔生成焓为-(747.90±1.46)kJ/mol.利用紫外-可见光谱仪对反应物和产物溶液的测量证实所设计热化学循环的可靠性.

关键词：吡啶-2,6-二甲酸氢锂晶体结构低温热容标准摩尔生成焓热化学循环

吡啶-2,6-二甲酸氢钾的合成、结构表征及热化学性质

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高等学校化学学报 2012年第9期33卷 2074-2079页

作者：钟文文邸明哲邸友莹山东省化学储能与新型电池技术重点实验室聊城大学化学化工学院聊城252059

合成了吡啶-2,6-二甲酸氢钾(KHDPC).利用X射线单晶衍射仪确定了化合物的晶体结构.用精密自动绝热热量计测量了其在78～360 K温度区间的低温热容.利用最小二乘法对配合物的实验热容进行拟合,得到热容随温度变化的多项式方程.利用此方程... 详细信息

合成了吡啶-2,6-二甲酸氢钾(KHDPC).利用X射线单晶衍射仪确定了化合物的晶体结构.用精密自动绝热热量计测量了其在78～360 K温度区间的低温热容.利用最小二乘法对配合物的实验热容进行拟合,得到热容随温度变化的多项式方程.利用此方程计算出温度区间内的舒平热容值及相对于298.15 K时的热力学函数值.利用Hess定律设计合理的热化学循环,在等温环境下利用溶解-反应热量计分别测定所设计热化学反应的反应物和产物在所选溶剂中的溶解焓并计算出反应的反应焓.最后,计算出该化合物的标准摩尔生成焓为-(1052.69"1.52)kJ/mol.

关键词：吡啶-2,6-二甲酸氢钾单晶结构低温热容标准摩尔生成焓

四氯合锌酸正九烷铵的晶体结构及热化学性质(英文)

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物理化学学报 2011年第6期27卷 1319-1324页

作者：卢冬飞邸友莹何东华聊城大学化学化工学院山东聊城252059

合成了四氯合锌酸正九烷铵复合物(C9H19NH3)2ZnCl4(s)(C9Zn(s)),并使用X射线单晶衍射、化学分析以及元素分析确定了其晶体结构和化学组成.利用其晶体学数据推导了C9Zn(s)的晶格能UPOT=952.94kJ·mol-1.在298.15K下,利用恒温环境溶解-反... 详细信息

合成了四氯合锌酸正九烷铵复合物(C9H19NH3)2ZnCl4(s)(C9Zn(s)),并使用X射线单晶衍射、化学分析以及元素分析确定了其晶体结构和化学组成.利用其晶体学数据推导了C9Zn(s)的晶格能UPOT=952.94kJ·mol-1.在298.15K下,利用恒温环境溶解-反应热量计测定了C9Zn(s)在不同质量摩尔浓度下的摩尔溶解焓.在Pitzer电解质溶液理论基础上确定了C9Zn(s)的无限稀释摩尔溶解焓ΔsΗm∞=20.09kJ·mol-1,以及Pitzer焓参数组合(4β(C09)LH19NH3,Cl+2β(Z0n)L,Cl+θCL9H19NH3,Zn)和(2β(C1)9LH19NH3,Cl+β(Z1)nL,Cl)的值.

关键词：四氯合锌酸正九烷铵晶格能无限稀释摩尔溶解焓 Pitzer参数 Pitzer理论

配合物Zn(Phe)(NO_3)_2·H_2O(s)的低温热容和标准摩尔生成焓

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物理化学学报 2007年第9期23卷 1437-1441页

作者：邸友莹高胜利谭志诚聊城大学化学化工学院山东聊城252059 西北大学化学系西安710069 中国科学院大连化学物理研究所热化学实验室辽宁大连116023

利用精密自动绝热热量计直接测定了配合物Zn(Phe)(NO_3)_2·H_2O(s)(Phe:苯丙氨酸)在78-370 K温区的摩尔热容.通过热容曲线的解析得到该配合物的起始脱水温度为,T_0=(324.27±0.37)K.将该温区的摩尔热容实验值用最小二乘法拟合得到摩尔... 详细信息

利用精密自动绝热热量计直接测定了配合物Zn(Phe)(NO_3)_2·H_2O(s)(Phe:苯丙氨酸)在78-370 K温区的摩尔热容.通过热容曲线的解析得到该配合物的起始脱水温度为,T_0=(324.27±0.37)K.将该温区的摩尔热容实验值用最小二乘法拟合得到摩尔热容(C_(p,m))对温度(T)的多项式方程,并且在此基础上计算出了它的舒平热容值和各种热力学函数值.依据Hess定律,通过设计热化学循环,选择体积为100 mL浓度为2 mol·L^(-1)的盐酸作为量热溶剂,利用等温环境溶解-反应热量计分别测定混合物{ZnSO_4·7H_2O(s)+2NaNO_3(s)+L-Phe(s)}和{Zn(Phe)(NO_3)_2·H_2O(s)+Na_2SO_4(s)}的溶解焓为,Δ_dH_(m,1)~0=(69.42±0.05)kJ·mol^(-1),Δ_dH_(m,2)~0=(48.14±0.04)kJ·mol^(-1),进而计算出该配合物的标准摩尔生成焓为,Δ_fH_m^0=-(1363.10±3.52)kJ·mol^(-1).另外,利用紫外-可见(UV-Vis)光谱和折光指数(refractive index)的测量结果检验了所设计的热化学循环的可靠性.

关键词： Zn(Phe)(NO3)2·H2O(s) 绝热量热法低温热容溶解-反应量热法标准摩尔生成焓

硫酸氢钾(KHSO_4,A.R.)的低温热容和热化学性质

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无机化学学报 2000年第5期16卷 825-828页

作者：邸友莹孟霜鹤谭志诚屈松生武汉大学化学与环境科学学院武汉430072 中国科学院大连化学物理研究所热化学实验室大连116023

The heat capacities of KHSO4 crystal (A. R. ) have been measured with a small sample precision automated adiabatic calorimeter over the temperature range from 78 to 373 K. The experimental results have shown that there is no phase transition or thermal anomaly in this temperature region for the present crystal. The experimental heat-capacity data have been fitted to a smoothed curve with the aid of the least square method. In addition, the process of the thermal decomposition has been studied by TG analysis.

关键词：硫酸氢钾低温热容热分解热化学性质