High-Pressure Behavior of C2I2 and Polymerization to a Conductive Polymer

Ward, Matthew D.; Huang, Haw-Tyng; Zhu, Li; Popov, Dmitry; Strobel, Timothy A.

doi:10.1021/acs.jpcc.8b12161

Title: High-Pressure Behavior of C₂I₂ and Polymerization to a Conductive Polymer

Journal Article · Wed Mar 27 00:00:00 EDT 2019 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.8b12161· OSTI ID:1558105

Ward, Matthew D. ^[1];

^[2]; Zhu, Li ^[1]; Popov, Dmitry ^[3];

^[1]

Carnegie Inst. of Washington, Washington, DC (United States). Geophysical Lab.
Pennsylvania State Univ., University Park, PA (United States). Dept. of Material Sciences and Engineering
Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab., High Pressure Collaborative Access Team (HPCAT)

Crystalline diiodoacetylene (C₂I₂) was synthesized and then examined under high-pressure conditions using synchrotron X-ray diffraction, Raman/infrared spectroscopies, and first-principles calculations. At ~0.3 GPa, the starting tetragonal (P$$_{4_{2}}$$/n) phase, which is stabilized by donor-acceptor interactions, changes into a new orthorhombic structure (Cmca) that is more densely packed and analogous to the low-temperature phase of acetylene. Above approximately 4 GPa, compressed C₂I₂ molecules in the Cmca structure begin to polymerize to form a predominantly sp² amorphous carbon network that maintains a significant fraction of C-I bonds. Transport measurements demonstrate that the polymeric material is electrically conducting. The magnitude of the electrical conductivity is similar to Br-doped polyacetylene and undoped trans-polyacetylene at 8 GPa and 1 atm, respectively. Elemental analyses performed on recovered samples show that the iodine concentration varies with specific processing conditions. Optimization of the pressure-induced polymerization pathway could allow for enhanced electrical properties to be realized, in addition to postpolymerization functionalization using the weak C-I bonds.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; U.S. Army Research Office (ARO); Defense Advanced Research Projects Agency (DARPA); National Science Foundation (NSF)

Grant/Contract Number:: AC02-06CH11357; EAR-1634415; FG02-94ER14466

OSTI ID:: 1558105

Journal Information:: Journal of Physical Chemistry. C, Vol. 123, Issue 18; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 11 works

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