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Computational Study on the Structure of N-(2-Amino-benzoyl)-N'-phenyl hydrazine
2013
Proceedings of The 17th International Electronic Conference on Synthetic Organic Chemistry
unpublished
Preserved Fulltext
The hydrazide compound N-(2-Amino-benzoyl)-N'-phenyl hydrazine has been synthesized and characterized by 1 H-NMR, 13 C-NMR, IR and X-Ray determination. The molecular geometry and vibrational frequency values in the ground state have been calculated using the density functional methods HF and B3LYP with the 6-31G(d) and 6-31G+(d,p) basis sets. The calculated results show that the optimized geometry can well reproduce the crystal structure, and the theoretical vibrational frequencies and chemical
doi:10.3390/ecsoc-17-e003
fatcat:bi37tl5yivel7nnc2vn42ukpfa