Low-Frequency Vibrational Spectra of Amoxicillin and Ampicillin

Margaret P. Davis, Timothy M. Korter

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Amoxicillin and ampicillin are large, flexible antibiotic molecules that are commonly administered in their solid trihydrate forms. The hydration of these pharmaceuticals has been studied in this work using both terahertz and low-frequency Raman vibrational spectroscopies to measure the vibrational modes of the crystalline solids below 200 cm-1. Combining the experimental results with solid-state density functional theory simulations of both structure and vibrations, allows for the in-depth exploration of the potential energy surfaces governing the large-amplitude motions of the co-crystalized waters.

Original languageEnglish (US)
Title of host publication2021 46th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2021
PublisherIEEE Computer Society
ISBN (Electronic)9781728194240
DOIs
StatePublished - 2021
Event46th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2021 - Chengdu, China
Duration: Aug 30 2021Sep 3 2021

Publication series

NameInternational Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz
Volume2021-August
ISSN (Print)2162-2027
ISSN (Electronic)2162-2035

Conference

Conference46th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2021
Country/TerritoryChina
CityChengdu
Period8/30/219/3/21

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • Electrical and Electronic Engineering

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