Credit: Stina Gulbrandsen, UiT The Arctic University of Norway]

Abhik was one of the first to apply modern ab initio and density functional theory methods to bioinorganic chemistry, especially hemes and other metalloporphyrins1. In the 1990s, his calculations on the potential energy surface of carbonmonoxyheme facilitated the abandonment of the steric model for diatomic ligand discrimination by heme proteins2. Instead, hydrogen bonds in the distal pocket were shown to be primarily responsible for the selective binding of O2 over CO and NO. The calculations provided a much-needed theoretical underpinning as the field of heme-based sensors came of age in that period3. Abhik is one of today’s leading thinkers on so-called noninnocent ligands, which do not allow an unambiguous assignment of the oxidation state of a coordinated metal. He developed a set of criteria that help inorganic chemists to classify a transition metal system as innocent or otherwise4. He has also used advanced ab initio calculations to quantify the phenomenon, ranking a set of metallocorroles according to their degree of noninnocence5. In recent years, Abhik has pioneered the field of 5d metallocorroles, which exhibit promise as new building blocks for cancer phototherapeutics6. In 2022, he won the Hans Fischer Career Award for Lifetime Achievements in Porphyrin Chemistry. Abhik takes a certain pride in being a fluent speaker of Sanskrit, and not long ago, he and Stanford University linguist Paul Kiparsky made waves with their reflections on the possible role of Sanskrit as a source of inspiration behind Mendeleev’s periodic table7.

This interview was conducted by the editors of Communications Chemistry.