Redetermined structure of diphenylphosphonimidotriphenylphosphorane: location of the hydrogen atoms and analysis of the intermolecular interactions
2011
Redetermined Structure of Diphenylphosphonimidotriphenylphosphorane
publication
Evidence: high
Author Information
Author(s): Betz Richard, Gerber Thomas, Hosten Eric, Schalekamp Henk
Primary Institution: Nelson Mandela Metropolitan University
Hypothesis
The study aims to confirm the crystal structure of a phosphazene derivative and locate its hydrogen atoms.
Conclusion
The study successfully confirmed the crystal structure and located the hydrogen atoms, revealing significant intermolecular interactions.
Supporting Evidence
- The formal P=N double bond is about 0.05 Å shorter than the P—N single bond.
- An intramolecular C—H⋯O interaction occurs.
- Short C—H⋯O contacts connect the molecules into chains.
- Aromatic π–π stacking occurs with a shortest centroid–centroid separation of 3.6012 Å.
Takeaway
Scientists looked at a special chemical structure to see where the hydrogen atoms are and how the molecules stick together.
Methodology
The crystal structure was determined using X-ray diffraction techniques.
Limitations
The previous structure determination did not include hydrogen atoms, limiting the assessment of certain interactions.
Digital Object Identifier (DOI)
Want to read the original?
Access the complete publication on the publisher's website