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5014458 
Journal Article 
Solvation Analysis of Halogenated 4-Oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide 
Muthu, S; Paulraj, EI 
2013 
Yes 
Asian Journal of Chemistry
ISSN: 0970-7077
EISSN: 0975-427X 
25 
161-164 
English 
Solvation analysis have been carried out for 3-bromomethyl-4-oxohnidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide, 3-chloromethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide and 3-fluromethyl-4-oxoimidazo[5,1-d][1,2,3,5[tetrazine-8-carboxamide in polar and non-polar solvents having a wide range of dielectric constants. The test set consists of water, ethyl alcohol, methyl alcohol, chlorobenzene, chloroform, benzene and carbon tetrachloride. The physical properties of the systems, such as free energies, electrostatic interaction, cavitation energy and induced dipole moments are discussed. Quantum mechanical self consistent fields explain the properties of the compounds satisfactorily. 
Solvation analysis; Electrostatic; Free energy; Cavitation