IJSRP, Volume 4, Issue 1, January 2014 Edition [ISSN 2250-3153]
					
				
			
            
				
				     
					K.K.Srivastava, Shubha Srivastava, Md. Tanweer Alam, Rituraj				
			
				Abstract: 
				Quantum mechanical calculations of different energies components of 1,10-phenanthroline in ground  state were carried out by DFT method , in isolated state  and in various solvents to study the effects of solvents on various energy components  . The solvation energy, chemical potential, hardness, electrophilicity  of 1,10-phenanthroline were calculated with the help of computed HOMO-LUMO gap of 1,10-phenanthroline in different solvents in ground  state .The plots of energy components and thermodynamic parameters against the dielectric constant of the corresponding solvents were found to be polynomial of higher order. The solvation energy of 1,10-phenanthroline is found to highest in