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Structures,Energetics,and Infrared Spectra of the Cationic monomethylamine-Water Clusters

Chinese Journal of Chemical Physics 2020年第1期33卷 31-36页

作者： Shu-kang Jiang Dong Yang Xiang-tao Kong Chong Wang Xiang-yu Zang Hui-jun Zheng Gang Li Hua Xie Wei-qing Zhang Xue-ming Yang Ling Jiang Shanghai Advanced Research Institute Chinese Academy of SciencesShanghai 201210China State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China University of Chinese Academy of Sciences Beijing 100049China

The structures,energetics,and infrared(IR)spectra of the cationic monomethylamine-water clusters,[(CH3NH2)(H2O)n]^+(n=1-5),have been studied using quantum chemical calculations at the MP2/6-311+G(2d,p)*** results reveal that the formation of protontransferred CH2NH3+ ion core structure is preferred via the intramolecular proton transfer from the methyl group to the nitrogen atom and the water molecules act as the acceptor for the O…HN hydrogen bonds with the positively charged NH3^+ moiety of CH2NH3^+,whose motif is retained in the larger *** CH3NH2^+ ion core structure is predicted to be less energetically *** frequencies of CH stretches,hydrogen-bonded and free NH stretches,and hydrogen-bonded OH stretches in the calculated IR spectra of the CH2NH3^+ and CH3NH2^+ type structures are di erent from each other,which would a ord the sensitive probes for fundamental understanding of hydrogen bonding networks generated from the radiation-induced chemical processes in the[(CH3NH2)(H2O)n]+complexes.

关键词： monomethylamine Water Structure Energetics Infrared spectroscopy

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New Method of Palladium Metal Trapping through Resins in Antiviral Drug: Valacyclovir HCl

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International Journal of Organic Chemistry 2013年第4期3卷 251-255页

作者： Keshava Navin Kumar Reddy Murugulla Adharvana Chari Mayur D. Khunt V. V. N. K. V. Prasada Raju Bojja Ramachandra Reddy Vurimidi Himabindu Ghanta Mahesh Reddy Department of Chemistry Institute of Science and Technology J. N. T. University Kukatpally Hyderabad India Dr. MACS Bio-Pharma Pvt. Ltd. Western Hills Kukatpally Hyderabad India Research and Development Integrated Product Development Innovation Plaza Dr. Reddy’s Laboratories Ltd. Bachupally Quthubullapur India

This process describes a novel technique for effective trapping of “Pd” metal through resins during the process development of L-valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl) methoxy] ethyl ester, and mono hydrochloride known as a Valacyclovir hydrochloride (1). This technique is suitable for large-scale production of 1 and it is described here Pd metal trapping by using different resins.

关键词： Valacyclovir Hydrochloride Antiviral Drug N-Phthalimide-L-Valine Ester monomethylamine Commercially Scalable Process Less Cycle Time

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