Electronic Spectra of ortho-Substituted Phenols: An Experimental and DFT Study

Table 3

Experimental and calculated lengths (Å) of some selected bonds in the studied compounds.

Bond	Length
	Phenol		2CPH		2APH		2NPH
	Exptal	Calc	Exptal	Calc	Exptal	Calc	Exptal	Calc
C1-C2	1.380	1.3996	1.386	1.3993	1.379	1.3999	1.373	1.4078
C1-C6	1.389	1.3947	1.393	1.3930	1.378	1.3949	1.354	1.3861
C2-C3	1.395	1.3966	1.390	1.3954	1.379	1.3976	1.365	1.3835
C3-C4	1.381	1.3979	1.384	1.3939	1.382	1.3973	1.393	1.4059
C4-C5	1.397	1.3992	1.392	1.4030	1.397	1.4081	1.396	1.4186
C5-C6	1.394	1.3993	1.390	1.4003	1.377	1.3989	1.384	1.4071
O11-H12		0.9661		0.9698		0.9783		0.9865