ArticleACS omega2026
Roles of π‑Conjugation and Intermolecular Interactions in Molecular Raman, Fluorescence, and Lifetime Spectroscopy.
Article in ACS omega, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Authors and funding
7 authors.
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Abstract
Understanding the relationship between molecular structure at the microscale and spectral behavior is essential for designing functional materials. Here, we report how the chemical structure, π-conjugation, and intermolecular interactions jointly modulate Raman spectroscopy, fluorescence, and excited-state lifetimes of seven molecules. The charge-coupled device (CCD) camera and field-emission scanning electron microscopy (FE-SEM) image the powders of these molecules to reveal the microscale particle crystal morphology. In contrast, a scanning tunneling microscope (STM) images the molecules to reveal their intermolecular interactions (hydrogen bonding, halogen bonding, and ionic interaction) during crystallization. The Stokes and anti-Stokes Raman spectra of 2,6-naphthalenedicarboxylic acid, biphenyl-4,4'-dicarboxylic acid, and dodecanedioic acid powders all exhibit distinct Raman signatures of their carbon skeletons. With increasing the laser excitation power, these Stokes Raman peaks show a linear power relationship, while the anti-Stokes Raman peaks show a second-order polynomial (nonlinear) power dependency. In comparison, 2,2':6',2″-terpyridine-4,4',4''-tricarboxylic acid does not show any Stokes or anti-Stokes Raman peaks, while 6,6''-dibromo-2,2':6',2''-terpyridine (
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