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20–23 Mar 2023
Campus Garching
Europe/Berlin timezone

Topochemical polymerization under high pressure: threshold distance and selectivity

20 Mar 2023, 16:00
2h
Yards 4 - 6 (Fakultät für Maschinenwesen)

Yards 4 - 6

Fakultät für Maschinenwesen

Board: MO-133
Poster Chemistry of Materials (Structure and Spectroscopy) Poster Session MONDAY

Speaker

Kuo Li (Center for High Pressure Science and Technology Advanced Research)

Description

Unsaturated molecular crystal can polymerize into extended carbon structure like diamond nanothread and graphene nanoribbon under external pressure, which is called pressure-induced polymerization (PIP). PIP has an obvious topochemical feature, with the structure of the polymeric product similar with the reactant. By analyzing the crystal structures of many reactants, we conclude that alkynes have a threshold distance of ~3.0 A before the PIP. For acetylene, the distance include an intrinsic threshold of 2.3 A and thermal displacement of ~0.8 A. The threshold distance also depends on the reaction path. To realize a perfect topochemical PIP, an ordered doping of "inert" atom and a suitable intermolecular stacking with strong intermolecular interaction are necessary.

Primary authors

Kuo Li (Center for High Pressure Science and Technology Advanced Research) Dr Haiyan Zheng (Center for High Pressure Science and Technology Advanced Research) Mr Xingyu Tang (Center for High Pressure Science and Technology Advanced Research) Dr Dexiang Gao (Center for High Pressure Science and Technology Advanced Research) Dr Peijie Zhang (Center for High Pressure Science and Technology Advanced Research) Dr Xuan Wang (Center for High Pressure Science and Technology Advanced Research)

Presentation materials

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