Scholarlink

Abstract <p>Intermolecular interactions in the crystal structure of organic ferroelectric (R)-3-quinuclidinol were studied in DFT framework. Electron density features of (R)-3-quinuclidinol crystals were revealed; new dihydrogen contacts were found. The role of hydrogen and dihydrogen contacts in the whole intermolecular interactions net was established.</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

Weak Interactions and its Topological Characteristics in (R)-3-Quinuclidinol Crystals: a Quantum Crystallography Approach

  • 期刊论文

  • 发表日期：

    2025年4月1日

查看全文
  • M. A. Khainovsky,
  • S. S. Sharaya,
  • N. E. Bogdanov

摘要

Abstract

Intermolecular interactions in the crystal structure of organic ferroelectric (R)-3-quinuclidinol were studied in DFT framework. Electron density features of (R)-3-quinuclidinol crystals were revealed; new dihydrogen contacts were found. The role of hydrogen and dihydrogen contacts in the whole intermolecular interactions net was established.