# Modeling Radiative Efficiency across Fluorinated Molecules: Bridging Chemistry and Climate Policy for Global Warming Potential Estimations

## TL;DR

This paper introduces a new method to accurately calculate the climate impact of fluorinated molecules, improving global warming potential estimates for better policy decisions.

## Contribution

A novel methodology for calculating radiative efficiency with minimized error, adaptable to various electronic structure methods.

## Key findings

- The method incorporates full conformer populations and three scaling parameters to better approximate experimental infrared spectra.
- Theoretical global warming potential values are calculated with well-defined error bars, outperforming existing methods.
- The framework supports policy decisions on reducing high-GWP hydrofluorocarbons and finding sustainable alternatives.

## Abstract

Accurate assessment of the climate impact of fluorinated
compounds
is crucial for guiding regulatory decisions and mitigating global
warming. We present a novel methodology for calculating the radiative
efficiency of diverse fluorinated molecules with minimized error,
adaptable to any electronic structure method and basis set. By incorporating
full conformer populations and three scaling parameters, we approximate
the experimental infrared spectra more effectively, enhancing the
reliability of our predictions. The optimization of vibrational frequencies
and intensities for a diverse data set of 38 fluorinated compounds
enables us to refine radiative efficiency calculations and seamlessly
integrate them into our lifetime calculating protocol. We obtain theoretical
global warming potential (GWP) values with well-defined error bars,
offering a significant improvement over existing computational methods.
This enhanced framework provides a powerful tool for assessing the
climate effects of fluorinated compounds, aligning with the objectives
of the Kigali Amendment to the Montreal Protocol. By delivering robust
and reliable GWP estimates, our methodology informs policy decisions
on the phasedown of high-GWP hydrofluorocarbons and the search for
sustainable alternatives. Our findings contribute to advancing theoretical
approaches for quantifying radiative forcing, supporting global efforts
to mitigate anthropogenic climate change.