# Collaborative Research: Tracking Reactivity in Porous Materials with Terahertz Spectroscopies

> **NSF 01002526DB NSF RESEARCH & RELATED ACTIVIT** · Brown University (RI) · $502,799

## Abstract

With support from the Chemical Structure and Dynamics (CSD) program in the Division of Chemistry, Professor Daniel Mittleman of Brown University and Professor Michael Ruggiero of the University of Rochester are investigating guest-host molecule interactions in porous materials using a combination of vibrational spectroscopies and computational methods. This project aims to uncover the atomic-level mechanisms that drive the adsorption of gases in porous materials such as metal-organic frameworks (MOFs) and clathrates. A key challenge is that the intermolecular forces are often weak, requiring probes in the terahertz range. The team will apply low-frequency infrared and Raman spectroscopies, exploiting a unique capability to obtain such measurements in a custom-designed pressure cell, to reveal how gas loading alters the vibrational dynamics in real time. Quantum mechanical simulations will help to interpret these spectral changes, linking them to structural information. The combination of computational and experimental results will clarify important open questions in the field, such as the impact of structural disorder on adsorption dynamics. These new insights will inform the rational design of materials optimized for particular applications such as hydrogen storage or toxic chemical remediation. These efforts are linked to a hands-on week-long summer course developed for high school students in Rochester and Providence, which will further the pedagogical training of the grad

## Key facts

- **NSF award ID:** 2431336
- **Awardee organization:** Brown University (RI)
- **SAM.gov UEI:** E3FDXZ6TBHW3
- **PI:** Daniel M Mittleman
- **Primary program:** 01002526DB NSF RESEARCH & RELATED ACTIVIT
- **All programs:** EXP PROG TO STIM COMP RES, Hydrogen Storage or Generation
- **Estimated total:** $502,799
- **Funds obligated:** $502,799
- **Transaction type:** Standard Grant
- **Period:** 09/01/2025 → 08/31/2028

## Primary source

NSF Award Search: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2431336

## Citation

> US National Science Foundation, Award 2431336, Collaborative Research: Tracking Reactivity in Porous Materials with Terahertz Spectroscopies. Retrieved via AI Analytics 2026-06-06 from https://api.ai-analytics.org/grant/nsf/2431336. Licensed CC0.

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