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Updated: Feb 14, 2026

In Situ High Pressure Hydrogen Tribological Testing of Common Polymer Materials Used in the Hydrogen Delivery Infrastructure
Published on: March 31, 2018
Tetracyanomethane under Pressure: Extended CN Polymers from Precursors with Built-in sp3 Centers
Derek W Keefer, Huiyang Gou1,2, Qianqian Wang1
1Geophysical Laboratory , Carnegie Institution of Washington , 5251 Broad Branch Road NW , Washington , D.C. 20015 , United States.
Abstract:
Tetracyanomethane, C(CN)4, is a tetrahedral molecule containing a central sp3 carbon that is coordinated by reactive nitrile groups that could potentially transform to an extended CN network with a significant fraction of sp3 carbon. High-purity C(CN)4 was synthesized, and its physiochemical behavior was studied using in situ synchrotron angle-dispersive powder X-ray diffraction (PXRD) and Raman and infrared (IR) spectroscopies in a diamond anvil cell (DAC) up to 21 GPa. The pressure dependence of the fundamental vibrational modes associated with the molecular solid was determined, and some low-frequency Raman modes are reported for the first time. Crystalline molecular C(CN)4 starts to polymerize above ∼7 GPa and transforms into an interconnected disordered network, which is recoverable to ambient conditions. The results demonstrate feasibility for the pressure-induced polymerization of molecules with premeditated functionality.
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