Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine

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	Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine
	Li, SR ; Li, Q ; Xiong, L ; Li, XD ; Li, WB ; Cui, W ; Liu, R ; Liu, J ; Yang, K ; Liu, BB ; Zou, B
刊名	JOURNAL OF CHEMICAL PHYSICS
	2014
卷号	141 期号:11
关键词	PHASE-TRANSFORMATIONS CHEMICAL-REACTIONS HYDROGEN-BONDS POLYMERIZATION CRYSTAL BENZENE AMORPHIZATION TRANSITION REACTIVITY ACETYLENE
ISSN号	0021-9606
通讯作者	zoubo@jlu.edu.cn
英文摘要	We have examined the high-pressure behaviors of six-membered heterocyclic compounds of pyrimidine and s-triazine up to 26 and 26.5 GPa, respectively. Pyrimidine crystallizes in Pna2(1) symmetry (phase I) with the freezing pressure of 0.3 GPa, and transforms to another phase (phase II) at 1.1 GPa. Raman spectra of several compression-decompression cycles demonstrate there is a critical pressure of 15.5 GPa for pyrimidine. Pyrimidine returns back to its original liquid state as long as the highest pressure is below 15.1 GPa. Rupture of the aromatic ring is observed once pressure exceeds 15.5 GPa during a compression-decompression cycle, evidenced by the amorphous characteristics of the recovered sample. As for s-triazine, the phase transition from R-3c to C2/c is well reproduced at 0.6 GPa, in comparison with previous Raman data. Detailed Raman scattering experiments corroborate the critical pressure for s-triazine may locate at 14.5 GPa. That is, the compression is reversible below 14.3 GPa, whereas chemical reaction with ring opening is detected when the final pressure is above 14.5 GPa. During compression, the complete amorphization pressure for pyrimidine and s-triazine is identified as 22.4 and 15.2 GPa, respectively, based on disappearance of Raman lattice modes. Synchrotron X-ray diffraction patterns and Fourier transform infrared spectra of recovered samples indicate the products in two cases comprise of extended nitrogen-rich amorphous hydrogenated carbon (a-C:H:N). (C) 2014 AIP Publishing LLC.
收录类别	SCI
语种	英语
WOS记录号	WOS:000342843200033
公开日期	2015-03-13
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/14103]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	Li, SR,Li, Q,Xiong, L,et al. Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine[J]. JOURNAL OF CHEMICAL PHYSICS,2014,141(11).
APA	Li, SR.,Li, Q.,Xiong, L.,Li, XD.,Li, WB.,...&Zou, B.(2014).Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine.JOURNAL OF CHEMICAL PHYSICS,141(11).
MLA	Li, SR,et al."Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine".JOURNAL OF CHEMICAL PHYSICS 141.11(2014).