Speaker
Description
Over the last two years, considerable further progress has been made in using a rational design approach [1,2] guided by calculations with the Gaussian 09 software package on the Lengau cluster and an application of Michl’s perimeter model [3] to prepare novel main group element complexes of porphyrin and boron dipyrromethene (BODIPY) analogues that are suitable for use as photosensitizer dyes in photodynamic therapy against cancer and bacteria [4-8] and as optical limiters in applications relevant to the protection of human eyesight from intense incident laser beams [9-10]. There has been a strong focus on exploring how the lowest energy porphyrin absorption band can be substantially red-shifted into the phototherapeutic window by introducing reduced and confused pyrrole moieties [2,4-7]. Future directions on the use of the Gaussian 09 software package in the context of this research will be described.
References
[1] J. Mack, Chem. Rev. 2017, 117, 3444-3478.
[2] B. Babu, J. Mack, T. Nyokong, Dalton Trans. 2023, 52, 5000-5018.
[3] J. Michl, Tetrahedron 1984, 40, 3845-3934.
[4] R. C. Soy, B. Babu, J. Mack, T. Nyokong, Molecules 2023, 28, 4030.
[5] S. Dingiswayo, K. Burgess, B. Babu, J. Mack, T. Nyokong, Photochem 2023, 3, 313-326.
[6] R. C. Soy, B. Babu, J. Mack, T. Nyokong, Photodiagn. Photodyn. Ther. 2023, 44, 103815.
[7] A. K. May, B. P. Ngoy, J. Mack, T. Nyokong, J. Porphyrins Phthalocyanines 2024, 28, 88-96.
[8] R. C. Soy, D. Mafukidze, J. Mack, T. Nyokong, Eur. J. Inorg. Chem. 2024, 27, e202400072.
[9] A. K. May, J. Mack, T. Nyokong, J. Porphyrins Phthalocyanines 2023, 27, 591-599.
[10] G. Kubheka, J. Mack, T. Nyokong, J. Porphyrins Phthalocyanines 2024, 28, 61-71.
