Computation of Absorption Bands and Their Intensities in the UV Spectra of Heptacoordinated Organotin(IV) Complexes

ELBA N. RUIZ PEREYRA; COOKE, M. V.; PELÁEZ W. J.; GUILLERMO M. CHANS; CECILIO ÁLVAREZ TOLEDANO; ELIZABETH GÓMEZ; ARGÜELLO G. A.

Concón

Conferencia; 14th Latin American Conference on Physical Organic Chemistry.; 2017

14th Latin American Conference on Physical Organic Chemistry.

2017- Computation of Absorption Bands and Their Intensities in the UV Spectra of Heptacoordinated Organotin(IV) Complexes. E. N. Ruiz Pereyra, M. V. Cooke, W. J. Peláez, G. M. Chans, C. Álvarez-Toledano, E. Gómez. G. A. Argüello. 14th Latin American Conference on Physical Organic Chemistry. P44. 7th-11th May 2017. Concón, Chile. It is well known that tin(IV) can expand its coordination number from four (the most common) to eight in few cases. Nevertheless, heptacoordinated organotin(IV) complexes are structures with well-known biological activities. Particularly, carbonyl organotin compounds are of considerable interest due to their applicability as insecticides, bactericides, antiviral agents, etc..1In this work, a detailed analysis of the MOs involved in electronic transitions in different solvents (UV in EtOH, MeOH, DCM and ACN) as well as the conformational study (TD-DFT (B3LYP /LANL2DZ) method) of a family of heptacoordinated organotin(IV) complexes2 derived from Schiff bases and pyridine carboxylic acids have been carried out.