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Title: Copolymerization of CO and N2 to Extended CON2 Framework Solid at High Pressures

Abstract

Synthesis of novel extended forms of nitrogen and nitrogen-rich materials has been a topic of interest in development of high-energy-density materials. Here, we present the formation of high-density (3.983 g/cm3) copolymer CON2, formed in crystalline form by laser heating of CO–N2 mixtures above 1700 K and 45 GPa—a substantially lower pressure–temperature condition than those required for converting pure nitrogen (above 110 GPa and 2000 K). It can be made even at lower pressures ~20 GPa at ambient temperature for amorphous solid. According to the refined structure, the crystalline polymer is made of nitrogen-hybridized, eight-membered rings of singly bonded CON2 in a three-dimensional framework structure in the space group of P43, as one of the previously predicted structures. Furthermore, unlike the predicted structures, the present P43 solid converts back to ε-N2-like and δ-N2-like molecular phases as pressure unloads to 20 and 10 GPa, respectively.

Authors:
ORCiD logo [1];  [1];  [1]; ORCiD logo [2]; ORCiD logo [3]
  1. Washington State Univ., Pullman, WA (United States)
  2. Washington State Univ., Pullman, WA (United States); Univ. of Chicago, IL (United States)
  3. Army Research Lab., Aberdeen Proving Ground, MD (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); NSF-DMR; ARO; Defense Advanced Research Projects Agency (DARPA)
OSTI Identifier:
1463722
Grant/Contract Number:  
NA0001974; NA0003342; 1701360; W911NF-17-1-0468; W31P4Q-12-1-0009
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 122; Journal Issue: 24; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
ENGLISH
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; mixtures; chemical structure; physical and chemical processes; nitrogen; polymers

Citation Formats

Yoo, Choong-Shik, Kim, Minseob, Lim, Jinhyuk, Ryu, Young Jay, and Batyrev, Iskander G. Copolymerization of CO and N2 to Extended CON2 Framework Solid at High Pressures. United States: N. p., 2018. Web. https://doi.org/10.1021/acs.jpcc.8b03415.
Yoo, Choong-Shik, Kim, Minseob, Lim, Jinhyuk, Ryu, Young Jay, & Batyrev, Iskander G. Copolymerization of CO and N2 to Extended CON2 Framework Solid at High Pressures. United States. https://doi.org/10.1021/acs.jpcc.8b03415
Yoo, Choong-Shik, Kim, Minseob, Lim, Jinhyuk, Ryu, Young Jay, and Batyrev, Iskander G. Wed . "Copolymerization of CO and N2 to Extended CON2 Framework Solid at High Pressures". United States. https://doi.org/10.1021/acs.jpcc.8b03415. https://www.osti.gov/servlets/purl/1463722.
@article{osti_1463722,
title = {Copolymerization of CO and N2 to Extended CON2 Framework Solid at High Pressures},
author = {Yoo, Choong-Shik and Kim, Minseob and Lim, Jinhyuk and Ryu, Young Jay and Batyrev, Iskander G.},
abstractNote = {Synthesis of novel extended forms of nitrogen and nitrogen-rich materials has been a topic of interest in development of high-energy-density materials. Here, we present the formation of high-density (3.983 g/cm3) copolymer CON2, formed in crystalline form by laser heating of CO–N2 mixtures above 1700 K and 45 GPa—a substantially lower pressure–temperature condition than those required for converting pure nitrogen (above 110 GPa and 2000 K). It can be made even at lower pressures ~20 GPa at ambient temperature for amorphous solid. According to the refined structure, the crystalline polymer is made of nitrogen-hybridized, eight-membered rings of singly bonded CON2 in a three-dimensional framework structure in the space group of P43, as one of the previously predicted structures. Furthermore, unlike the predicted structures, the present P43 solid converts back to ε-N2-like and δ-N2-like molecular phases as pressure unloads to 20 and 10 GPa, respectively.},
doi = {10.1021/acs.jpcc.8b03415},
journal = {Journal of Physical Chemistry. C},
number = 24,
volume = 122,
place = {United States},
year = {2018},
month = {6}
}

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