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Synthesis, Structural Characterization and DFT Studies of Silver(I) Complex Salt of Bis(4,5-dihydro-1H-benzo[g]indazole)

DOI: 10.4236/csta.2017.62002, PP. 11-24

Keywords: Silver Complex Salt, 4,5-dihydro-1H-benzo[g]indazole, Hydrogen Bonds, Thermogravimetric Analysis, 1HNMR, X-Ray, DFT Studies

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Abstract:

A new silver complex salt [Ag(N2C11H10)2]NO3 (where N2C11H10 = 4,5-dihydro-1H-benzo[g]indazole), has been synthesized and characterized by elemental and thermal analyses, IR and 1HNMR spectroscopies, single crystal X-ray structure determination and DFT studies. Its molecular structure comprises of a silver center coordinated to two nitrogen atoms from two 4,5-dihydro-1H-benzo[g]indazole molecule giving rise to a cationic complex entity, [Ag(N2C11H10)2]+ with \"\" as counter ion. The bulk structure is consolidated by N–HO, C–Hπ, Agπ and AgO intermolecular interactions, thus generating a pseudo-helical network. The optimized structure, frontier molecular orbitals (HOMO and LUMO) and global reactivity descriptors were investigated by performing DFT calculations.

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