Identifying hexamer structures in alcohol:water mixes​

The goal of this research in the Blake group is to better understand the nature of hydrogen bonding in mixed alcohol:water bulk states. Sadie utilizes ​​chirped pulse Fourier-transform microwave spectroscopy to collect spectra of rotationally cooled alcohol:water clusters. Predictions for rotational constants, and therefore peaks in the spectra, are created by optimizing hypothesized molecular geometries using DFT methods with Gaussian. Then, predictions are matched to experimental data.​