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炔雌醇甲醇溶剂化合物热分解非等温动力学研究
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作者 李先朝 朱亮 +2 位作者 沙作良 王彦飞 杨立斌 《应用化工》 CAS CSCD 北大核心 2016年第3期456-460,共5页
以炔雌醇为原料,甲醇为结晶溶剂,通过冷却结晶制备炔雌醇甲醇溶剂化合物,用差示量热扫描仪(DSC)、X-射线粉末衍射仪(XRPD)以及热重(TG)对结晶产物进行表征,采用非等温热重法对炔雌醇甲醇溶剂化合物热分解过程中溶剂热脱除过程进行了研究... 以炔雌醇为原料,甲醇为结晶溶剂,通过冷却结晶制备炔雌醇甲醇溶剂化合物,用差示量热扫描仪(DSC)、X-射线粉末衍射仪(XRPD)以及热重(TG)对结晶产物进行表征,采用非等温热重法对炔雌醇甲醇溶剂化合物热分解过程中溶剂热脱除过程进行了研究,通过最小偏差法判定得到炔雌醇甲醇溶剂化合物热分解过程的反应动力学机理函数。结果表明,炔雌醇甲醇溶剂化合物热分解过程分三个阶段,运用KAS模型分析了三个阶段热分解动力学数据,获得了三个阶段的热分解机理函数。 展开更多
关键词 炔雌醇 非等温热重法 最小偏差法 甲醇溶剂化合物
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Photoelectron Imaging of AgOCH3- and Ag-(CH3OH)x (x=l, 2)
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作者 池超贤 谢华 +2 位作者 从然 唐紫超 周鸣飞 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2011年第5期557-562,I0003,共7页
The AgOCH3- and Ag-(CH3OH)x(x=l, 2) anions are studied by photoelectron imaging as well as ab initio calculations. The adiabatic and vertical detachment energies (ADE and VDE) of AgOCH3- are determined as 1.29(... The AgOCH3- and Ag-(CH3OH)x(x=l, 2) anions are studied by photoelectron imaging as well as ab initio calculations. The adiabatic and vertical detachment energies (ADE and VDE) of AgOCH3- are determined as 1.29(2) and 1.34(2) eV, respectively, from the vibrational resolved photoelectron spectrum. The Ag-(CH3OH)l,2 anionic complexes are characterized as metal atomic anion solvated by the CH3OH molecules with the electron mainly localized on the metal. The photoelectron spectra of Ag-(CH3OH)x (x=O, 1, 2) show a gradual increase in VDE with increasing x, due to the solvent stabilization. Evidence for the methanol-methanol hydrogen bonding interactions appears when the Ag- is solvated by two methanol molecules. 展开更多
关键词 Silver methanol complex SOLVATION Photoelectron imaging Density functionalcalculation
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