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Structural and Electronic Properties of Benzyl Isothiocyanate Films
H H Hirushan1, Darya M Moiny1, Adithya Sadanandan2
1Department of Chemistry, University of Kansas, 1567 Irving Hill Road, Lawrence, Kansas 66045, United States.
Langmuir : the ACS Journal of Surfaces and Colloids
|November 20, 2025
Summary
Benzyl isothiocyanate (BITC) forms well-ordered self-assembled monolayers (SAMs) on gold surfaces. This study defines optimal conditions for BITC SAM formation and characterizes their unique electronic properties.
Area of Science:
- Surface science
- Nanotechnology
- Materials science
Background:
- Benzyl isothiocyanate (BITC) has known antimicrobial and antivirulence properties.
- BITC is utilized in nanoparticle drug delivery systems.
- Limited structural and electronic data exist for BITC films and self-assembled monolayers (SAMs).
Purpose of the Study:
- To define optimal parameters for forming well-ordered BITC SAMs on Au surfaces.
- To characterize the structural and electronic properties of BITC SAMs.
- To validate amplitude-modulated atomic force microscopy (AM-AFM) for rapid SAM screening.
Main Methods:
- Amplitude-modulated atomic force microscopy (AM-AFM) for rapid screening of BITC SAMs.
- Ultrahigh-vacuum scanning tunneling microscopy and spectroscopy (UHV STM/STS) for structural and electronic analysis.
- Density functional theory (DFT) calculations for structure verification and electronic property prediction.
Main Results:
- Optimal BITC SAMs were formed after 65 h incubation in a 20 mM ethanolic BITC solution under ambient conditions.
- Striped domains of BITC were observed on Au(111) surfaces.
- Significant electronic state hybridization between BITC and Au(111) was detected, along with substantial work function attenuation.
Conclusions:
- AM-AFM is a validated technique for rapid and precise characterization of complex thin film surfaces.
- Well-ordered BITC SAMs exhibit unique structural and electronic properties on Au(111) surfaces.
- The findings provide crucial insights into BITC condensed-phase behavior for potential applications.
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