Журнал "Макрогетероциклы"

B. T. Bomanda,^a W. Waudo,^b B. P. Ngoy,^a@ J. T. Muya,^a P. T. Mpiana,^a M. Mbala,^a I. Openda,^a J. Mack,^c and T. Nyokong^c

Dedicated to Prof. Ilinga Lopaka on the occasion of his 70^th Birthday

^aDépartement de Chimie, Université de Kinshasa, B.P. 190 KIN XI, Democratic Republic of the Congo

^bJomo Kenyatta University of Agriculture and Technology, Chemistry Department, P.O. Box 62000 Nairobi, Kenya

^cDepartment of Chemistry, Rhodes University, 6140 Grahamstown, South Africa

^@Corresponding author E-mail: bokolombe@gmail.com

DOI: 10.6060/mhc180898n

Macroheterocycles 2018 11(4) 429-437

Photophysical properties of synthesized 2,6-brominated BODIPY dyes having dithienylenevinylene at 3,5-positions have been investigated in different solvents combining experiment and time dependent density functional theory (TD-CAM-B3LYP). This study shows a good agreement between the measured and computed excitation energies with a small deviation of 25-40 nm. The UV-Visible range corresponding to the electronic transition involving HOMO, HOMO-1 and LUMO orbitals is also reported. Further, the assessment of the antimicrobial activity of the 2,6-brominated BODIPY and 2,6-brominated BODIPY substituted with distyryl at 3,5-postions has shown that at lower concentrations (3.12∙10^-3 mg/mL) these synthesized compounds are able to eradicate E. coli and S. aureus upon 25 minutes irradiation using LEDs shining light at 530 nm and 650 nm.