Congrats to Amir for his first paper

Congrats to Amir on the publication of his first paper, A Spectroscopic and Computational Study of Dyes Based on Carbazole and TPA Donors, and Indane-Based Acceptors in The Journal of Physical Chemistry A 2025. DOI: 10.1021/acs.jpca.5c04213.

The paper describes work on donor-acceptor systems which show ILCT transitions that are important solar energy systems.  These compound exhibit distinct solvatochromic behavior in their absorption and emission spectra. These variations are analyzed using Lippert–Mataga (LM), McRae (MR), and Weller plots, which indicate changes in dipole moments between the ground and excited states. The linear slopes derived from the LM, MR, and Weller plots suggest a well-defined CT process with minimal specific solvent interactions. Density functional theory (DFT) modeling also suggests a significant level of planarity across all four dyes, and the experimental Raman spectra closely match the calculated Raman spectra. Compared to IndO groups, malononitrile units induce a greater CT character in the spectral emission behavior of each molecule. Variable temperature (VT) study reveals a blue shift with the increase in temperature across all of the dyes, indicating no evidence of aggregation.