Scholarlink

Abstract <p>Ibuprofen is a representative of a group of nonsteroidal anti-inflammatory drugs widely used in modern medicine. This article presents the results of the ibuprofen structure and dynamics investigations using IR- and Raman-spectroscopy in combination with quantum chemical calculations in the DFT approximation. Ibuprofen R-S dimer cluster model was used for calculations. Discussion is focused on the key parameters of the molecular geometry of the cyclic R-S dimer and vibrations of the H-bonded carboxylic COOH group of ibuprofen.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Structure and Dynamics Investigation of Ibuprofen Dimers by DFT Method

  • 期刊论文

  • 发表日期：

    2025年10月3日

查看全文
  • P. Gergelezhiu,
  • E. Raksha,
  • L. Savostina,
  • G. Arzumanyan,
  • A. Eresko,
  • S. Malakhov,
  • K. Mamatkulov,
  • O. Ponomareva,
  • A. Belushkin,
  • D. Chudoba

摘要

Abstract

Ibuprofen is a representative of a group of nonsteroidal anti-inflammatory drugs widely used in modern medicine. This article presents the results of the ibuprofen structure and dynamics investigations using IR- and Raman-spectroscopy in combination with quantum chemical calculations in the DFT approximation. Ibuprofen R-S dimer cluster model was used for calculations. Discussion is focused on the key parameters of the molecular geometry of the cyclic R-S dimer and vibrations of the H-bonded carboxylic COOH group of ibuprofen.