Uv spectra for the following isatin derived molecule (which I have used as ligand) was obtained in the region 273nm due to π → π* transitions of aromatic rings and 308nm may be due to n → π∗ transition of azomethine group. I have assigned the aforementioned transitions . I am confused whether the 308nm value can also be assigned to indole ring. Plz give your valuable suggestions.
I have calculated your molecule by PM3 optimization and the UV spectrum by configuration interaction (CI) method. The calculated UV band 336 nm is assigned to indole ring with the charge transfer admixture to phenol moiety. Both moieties are almost orthogonal.
I can give more details if you want to make a common paper.
Respected sir,
After going through your helpful suggestions, I would assign both 273nm and 308nm absorption values due to π–π* transitions. Plz do correct me if I am wrong since I need to mention transitions state in my manuscript.
Regards,
Lubna Afroz
Uv spectra of the isatin derived molecule show absoprtion bands one in the region 273 nm due to π → π* transitions of aromatic rings and another at 308 nm due to n → π∗ transition of azomethine group.
No! The molecule is non planar as my optimization shows. Strictly speaking you can not consider sigma , π separation. I have made all assignments with MO analysis. Read my full message.
Boris
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