Research

Chemical Sciences

Title :

Synthesis of π-Conjugated (Diradicaloid) and π-Non-Conjugated (Diradical) Compounds Involving Boron Centre(s)

Area of research :

Chemical Sciences

Principal Investigator :

Dr. Anukul Jana, Tata Institute of Fundamental Research (TIFR), Mumbai, Maharashtra

Timeline Start Year :

2024

Timeline End Year :

2027

Contact info :

Equipments :

Details

Executive Summary :

The proposal aims to synthesize isolable π-conjugated and π-non-conjugated compounds involving boron centers, with a focus on tuning their electronic ground state. The tuning will consider the influence of π-conjugated and π-non-conjugated spacers and substituents at the boron-center(s). The synthesis strategy for anionic and zwitterionic diradicaloids will involve two-electron reduction of borane/carbocation motifs and intramolecular charge transfer (ICT) processes separated by a π-conjugated spacer. For zwitterionic diradicaloids, the ICT process between alkene and borane motifs will be considered. For neutral homonuclear diradicaloids, two-electron reduction of donor (carbene/carbone)-stabilized two boronium/borenium cation motifs will be considered. For diradicals involving boron centers, two-electron reduction of donor (carbene/carbone)-stabilized two boronium/borenium cation motifs separated by a π-non-conjugated spacer will be considered. Theoretical calculations will be performed to understand and address the electronic states, along with comprehensive characterization of the synthesized molecules in solution-state by (VT)-NMR spectroscopy and solid-state by single crystal X-ray structural analysis.

Total Budget (INR):

50,86,800

Organizations involved