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Updated: Jun 17, 2026

A Technical Guide for Performing Spectroscopic Measurements on Metal-Organic Frameworks
Published on: April 28, 2023
Spectroscopic characterization of UV-induced efficient CO2 binding via non-covalent N···C interactions in
Satish Bhusan Panda1, Bhavika Kalal1, Subesh Gharai1
1Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502284, India. surajitmaity@chy.iith.ac.in.
Abstract:
This study investigates the molecular-level CO2 binding of nitrogen-containing aromatic hydrocarbons, specifically 7-azaindole (7AI) and 2,7-diazaindole (27DAI). Using resonant two-photon ionization (R2PI), UV-UV hole-burning, and ion-dip infrared (IDIR) spectroscopy, we identified non-covalently bound molecular complexes, 7AI·CO2 and 27DAI·(1,2)CO2, formed in a supersonic molecular beam. The experimental results, supported by quantum chemical calculations, revealed that CO2 binding in a 1 : 1 complex is facilitated by N⋯C non-covalent interactions and a weak N-H⋯O hydrogen bond interaction. The 27DAI·2CO2 complex showed simultaneous binding of CO2 at two different binding sites, while the mode of each CO2 binding is aided by N⋯C and N-H⋯O interactions. The study highlights how nitrogen insertion into the aromatic framework and UV excitation significantly enhance CO2 binding interactions, providing insights for designing next-generation CO2 capture materials.
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