DataVXACS NanoPaper
journal article·2022-04-26

On-Surface Debromination of C6Br6: C6 Ring versus C6 Chain

Wenze Gao, Faming Kang, Xia Qiu, Zewei Yi, Lina Shang, Mengxi Liu, Xiaohui Qiu, Yi Luo, Wei Xu

ACS Nano· Volume 16· Issue 4
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Source abstract

Abstract

Carbon allotropes comprising sp-hybridized carbon atoms have been investigated for decades for their molecular structure. One of the unsolved mysteries is whether they should take a linear or cyclic configuration in condensed phases due to the lack of atomistic characterizations. Herein, we designed a molecule with a C6 skeleton as a model system to address this issue, which was achieved by eliminating Br atoms from hexabromobenzene (C6Br6) molecule on the Ag(111) substrate via thermal treatment. It is found that the C6 ring intermediate resulting from complete debromination is energetically unstable at room temperature based on theoretical calculations. It subsequently transforms into the C6 polyynic chain via a ring-opening process and ultimately polymerizes into the organometallic polyyne, whose triyne structural unit is revealed by bond-resolved noncontact atomic force microscopy. Theoretical calculations demonstrated an energetically favorable pathway in which the ring-opening process occurs after complete debromination of C6Br6. Our study provides a platform for the synthesis of elusive carbon-rich materials.
Source: openalex_inverted_index · Quality: baseline

Research context

Polymers

OpenAlex topics: Advanced Chemical Physics Studies · Graphene research and applications · Fullerene Chemistry and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Interdisciplinary Materials Research Center, College of Materials Science and Engineering, Tongji University, Shanghai 201804, People’s Republic of China

CAS Key Laboratory of Standardization and Measurement for Nanotechnology, CAS Center for Excellence in Nanoscience, National Center for Nanoscience and Technology, Beijing 100190, People’s Republic of China

University of Chinese Academy of Sciences, Beijing 100049, People’s Republic of China

Academy for Advanced Interdisciplinary Studies, Peking University, Beijing 100871, People’s Republic of China

Hefei National Laboratory for Physical Sciences at the Microscale & Department of Chemical Physics, iChEM, University of Science and Technology of China, Hefei, Anhui 230026, People’s Republic of China

Funding

Ministry of Science and Technology of the People's Republic of China · National Natural Science Foundation of China · Chinese Academy of Sciences

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