Negative Linear Compressibility in Organic Mineral Ammonium Oxalate Monohydrate with Hydrogen Bonding Wine-Rack Motifs
Qiao, YC; Wang, K; Yuan, HS; Yang, K; Zou, B; Zou, B (reprint author), Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China.
2015
发表期刊JOURNAL OF PHYSICAL CHEMISTRY LETTERS
ISSN1948-7185
卷号6期号:14页码:2755—2760
文章类型期刊文献
摘要Negative linear compressibility (NLC) is a relatively uncommon phenomenon and rarely studied in organic systems. Here we provide the direct evidence of the persistent NLC in organic mineral ammonium oxalate monohydrate under high pressure using synchrotron X-ray powder diffraction, Raman spectroscopy and density functional theory (DFT) calculation. Synchrotron X-ray powder diffraction measurement reveals that ammonium oxalate monohydrate shows both positive and negative linear compressibility along b-axis before 11.5 GPa. The red shift of the external Raman modes and abnormal changes of several selected internal modes in high-pressure Raman spectra further confirmed the NLC. DFT calculations demonstrate that the N-H center dot center dot center dot O hydrogen bonding "wine-rack" motifs result in the NLC along b-axis in ammonium oxalate monohydrate. We anticipate the high-pressure study of ammonium oxalate monohydrate may represent a promising strategy for accelerating the pace of exploitation and improvement of NLC materials especially in organic systems.
关键词Thermal-expansion Phase-transition High-pressure Neutron-diffraction Natural Oxalates X-ray Framework Raman Spectroscopy Behavior
语种英语
WOS记录号WOS:000358339600018
引用统计
被引频次:17[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/25002
专题中科院上海应用物理研究所2011-2018年
通讯作者Zou, B (reprint author), Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China.
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Qiao, YC,Wang, K,Yuan, HS,et al. Negative Linear Compressibility in Organic Mineral Ammonium Oxalate Monohydrate with Hydrogen Bonding Wine-Rack Motifs[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2015,6(14):2755—2760.
APA Qiao, YC,Wang, K,Yuan, HS,Yang, K,Zou, B,&Zou, B .(2015).Negative Linear Compressibility in Organic Mineral Ammonium Oxalate Monohydrate with Hydrogen Bonding Wine-Rack Motifs.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,6(14),2755—2760.
MLA Qiao, YC,et al."Negative Linear Compressibility in Organic Mineral Ammonium Oxalate Monohydrate with Hydrogen Bonding Wine-Rack Motifs".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 6.14(2015):2755—2760.
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