Experimental and Theoretical Studies of a Spirostannole and Formation of a Pentaorganostannate.

ABSTRACT: A new spirostannole, 1,1',3,3'-tetrakis(5-methylthiophen-2-yl)-4,4',5,5',6,6',7,7'-octahydro-2,2'-spirobi[benzo[c]stannole] (4), is synthesised and the molecular structure is compared with the optimised geometry from DFT calculations. The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) are twice degenerated and show a small HOMO-LUMO energy gap of 3.2 eV. In addition, cyclic voltammetry measurements are conducted and three redox processes are observed. Absorption and emission spectra show maxima at λabs,max 436 nm and λem,max 533 nm, respectively. Spirostannole 4 is a strongly absorbing material, but an extremely weak emitter in solution at 295.15 K. However, when the solution is cooled from 280 to 80 K, the emission becomes visible. The reaction of

SUBMITTER: Ramirez Y Medina IM 

PROVIDER: S-EPMC7672547 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature