Weak Interactions and its Topological Characteristics in (R)-3-Quinuclidinol Crystals: a Quantum Crystallography Approach
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.
Authors
- N.E. Bogdanov (ORCID: https://orcid.org/0000-0002-3294-5303)
- Mark A. Khainovsky (ORCID: https://orcid.org/0000-0002-9436-3763)
- Svetlana S. Sharaya (ORCID: https://orcid.org/0009-0006-2223-6649)
Institutions
- Novosibirsk State University (RU)
Publication Details
- Journal
- Journal of Structural Chemistry
- Published
- 2025-04-01
- DOI
- https://doi.org/10.1134/s0022476625040031
- Primary Topic
- Crystallography and molecular interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00