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Conformational Selectivity of Merocyanine on Nanostructured Silver Films: Surface Enhanced Resonance Raman Scattering
Abhishek Das1, Ridhima Chadha1, Amaresh Mishra2
1Radiation & Photochemistry Division, Bhabha Atomic Research Centre, Mumbai, India.
Frontiers in Chemistry
|June 30, 2022
Summary
This study used Raman spectroscopy and DFT calculations to analyze merocyanine conformers on silver surfaces. Results show selective binding of trans-merocyanine, enabling sensitive detection and potential isomer separation.
Area of Science:
- Spectroscopy
- Surface Science
- Computational Chemistry
Background:
- Merocyanine exists in trans and cis conformers, influencing its properties.
- Understanding merocyanine adsorption on surfaces is crucial for applications.
Purpose of the Study:
- To investigate the structural and vibrational properties of merocyanine conformers.
- To analyze merocyanine binding characteristics on nanostructured silver-coated films (SCFs).
- To establish sensitive detection methods for merocyanine.
Main Methods:
- Raman, Surface-Enhanced Raman Scattering (SERS), and Surface-Enhanced Resonance Raman Scattering (SERRS) spectroscopy.
- Density Functional Theoretical (DFT) calculations.
- Excitation-dependent SERS and concentration-dependent SERRS studies.
Main Results:
- DFT and spectroscopic studies confirmed the prevalence of trans- and cis-merocyanine conformers (MCH+).
- Merocyanine adsorption on SCFs showed preferential binding of the trans-conformer.
- SERRS enabled sub-nanomolar detection of merocyanine with an analytical enhancement factor of ~10^10.
Conclusions:
- The study established the predominance of trans-MCH+ on nanostructured silver surfaces.
- Conformational surface selectivity was demonstrated, offering potential for isomer separation.
- Nanostructured SCFs provide a sensitive platform for merocyanine detection.

