Identifying sp-sp(2) carbon materials by Raman and infrared   spectroscopies

doi:10.1039/c4cp00539b

CORC > 北京大学 > 化学与分子工程学院

	Identifying sp-sp(2) carbon materials by Raman and infrared spectroscopies
	Wang, Jinying ; Zhang, Shuqing ; Zhou, Jingyuan ; Liu, Rong ; Du, Ran ; Xu, Hua ; Liu, Zhongfan ; Zhang, Jin ; Liu, Zhirong
刊名	physical chemistry chemical physics
	2014
关键词	METAL-SURFACES GRAPHYNE GRAPHDIYNE GRAPHENE ALLOTROPES NANOTUBES SPECTRA SYSTEMS
DOI	10.1039/c4cp00539b
英文摘要	Two-dimensional (2D) materials composed of sp and sp(2) carbon atoms (e. g., graphyne and graphdiyne) show many interesting properties. These materials can be constructed through alkyne homocoupling; however, the occurrence of various side reactions increases the difficulty of their synthesis and structural characterization. Here, we investigate the thermodynamic properties and vibrational spectra of several arylalkynes. Both homocoupling and side reactions are found to occur spontaneously at room temperature in terms of thermodynamics. The calculated Raman spectra of the homocoupling products show regular changes with increasing polymerization degree. By rationalizing the vibrational modes of various oligomers, the Raman spectrum of a 2D sp-sp(2) carbon sheet is predicted; it exhibits three sharp peaks at 2241, 1560, and 1444 cm(-1). Although the target and byproducts display similar vibrational modes, a combination of Raman and infrared spectroscopies can be used to differentiate them. The theoretical results are then used to analyze the structure of a synthesized sample and provide useful information.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000336796800026&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Chemistry, Physical; Physics, Atomic, Molecular & Chemical; SCI(E); PubMed; 6; ARTICLE; zfliu@pku.edu.cn; jinzhang@pku.edu.cn; LiuZhiRong@pku.edu.cn; 23; 11303-11309; 16
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/149725]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Wang, Jinying,Zhang, Shuqing,Zhou, Jingyuan,et al. Identifying sp-sp(2) carbon materials by Raman and infrared spectroscopies[J]. physical chemistry chemical physics,2014.
APA	Wang, Jinying.,Zhang, Shuqing.,Zhou, Jingyuan.,Liu, Rong.,Du, Ran.,...&Liu, Zhirong.(2014).Identifying sp-sp(2) carbon materials by Raman and infrared spectroscopies.physical chemistry chemical physics.
MLA	Wang, Jinying,et al."Identifying sp-sp(2) carbon materials by Raman and infrared spectroscopies".physical chemistry chemical physics (2014).