We have located links that may give you full text access.
Structural phase transitions in malononitrile, CH2(CN)2: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases.
The crystal structure of the low-temperature δ phase of crystalline malononitrile, CH2(CN)2 (stable phase below 260 K), has been determined using Rietveld refinement on neutron powder diffraction data. The δ phase has a slightly lower density than the other three low-pressure phases, and unlike those phases it has a polar structure. The reconstructive transition from the β to δ phase involves a major reconstruction of the structure, including establishing a network of hydrogen bonds. DFT simulations of the structure and phonon dispersion curves of both α and δ phases give free energy curves consistent with the phase transitions. It is noted that the transition from the δ to β phase at 260 K is facilitated by the entropy arising from the low-frequency phonons associated with the soft mode for the sequence of α-β-γ phase transitions.
Full text links
Related Resources
Trending Papers
Systemic lupus erythematosus.Lancet 2024 April 18
Should renin-angiotensin system inhibitors be held prior to major surgery?British Journal of Anaesthesia 2024 May
Autoimmune Hemolytic Anemias: Classifications, Pathophysiology, Diagnoses and Management.International Journal of Molecular Sciences 2024 April 13
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app
All material on this website is protected by copyright, Copyright © 1994-2024 by WebMD LLC.
This website also contains material copyrighted by 3rd parties.
By using this service, you agree to our terms of use and privacy policy.
Your Privacy Choices
You can now claim free CME credits for this literature searchClaim now
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app