|
|
|
|
|
|
| Pressure-Induced Phase and Isomer Transition of Dicyandiamide |
| TAO Yu-rui, WANG Hong-bo*, WANG Hai-hua*, ZHOU Mi* |
College of Physics, Jilin University, Changchun 130012, China
|
|
|
|
|
Abstract Due to the important application of cyanamide compounds in organic synthesis, the design and mechanism research of various cyanamide compounds have become a hot topic. The structure is the basis for functional material design. In order to explore the structural stability of a prototype of cyanamide compounds-dicyandiamide, we study the high-pressure Raman investigation of dicyandiamide at pressures of 24GPa.Under compression, most of the Raman lines move toward to high wave-number region, indicating that the reduced bond length of the functional group in dicyandiamide is shortened. Furthermore, the intensity of four Raman bands located at 502, 524, 934 and 2 157 cm-1 respectively change greatly with pressure (N—H, NCN, CNC, CN). At the same time, spectral phenomena such as new appearance of Raman peaks, disappearance of original Raman peaks and splitting of some Raman peaks are observed, indicating a pressure-induced electronic density rearrangement occurs in the dicyandiamide. Through the analysis of Raman frequency-pressure curves of dicyandiamide. It is observed that the slope of most curves suddenly changes at 5 GPa, and it could be concluded that a first-order phase-transition happens at about 5 GPa. Furthermore, there is no significant change in the slope of the CN and CN frequency-pressure curves, indicating that the two functional groups have similar pressure responses before and after the phase transition. In contrast, the slope of N—H bending vibration changes significantly, indicating that this functional group has a complex response to pressure, which is attributed to the inter-molecular hydrogen bond between dicyandiamide molecules. In addition, the intensity of the N—H stretching mode decreases gradually with the increase of pressure, and the frequency shows an abnormal blue shift, which indicates that the N-H bond length extends and the intermolecular hydrogen bond of dicyandiamide is enhanced in the new structural phase. At ambient conditions, dicyandiamide has two kinds of isomers, imino and amino forms. The characteristic peak of the imino form is 2 157 cm-1 and that of the amino form is 2 203 cm-1. According to the characteristic Raman line intensity evolution of the two isomers, it is found that the amino form of dicyandiamide transforms into an imino form gradually and disappears at 11 GPa. This study shows that high pressure Raman spectroscopy is an effective method to study the structural phase-transition and isomer identification of cyanamides, which provides an experimental basis for the design and synthesis of functional materials.
|
|
Received: 2021-09-28
Accepted: 2021-12-24
|
|
|
|
Corresponding Authors:
WANG Hong-bo, WANG Hai-hua, ZHOU Mi
E-mail: whb2477@jlu.edu.cn；haihua@jlu.edu.cn；mzhou@jlu.edu.cn
|
|
[1] LI Ling, WANG Jian-qing（李 灵，王建清）. Packaging Engineering（包装工程）, 2013, 34(3): 26.
[2] Jürgens B, Irran E, Senker S, et al. Journal of the American Chemical Society, 2003, 125(34): 10288.
[3] ZHANG Du-juan, LI Ya-feng, LU Hai-jun, et al（张杜鹃，李亚锋，鹿海军，等）. China Adhesives（中国胶粘剂）, 2021, 30(5): 8.
[4] Smith I, Schallenberg M. Agriculture, Ecosystems and Environment, 2013, 164: 23.
[5] XIE Li-peng, LIU Xiao-long, ZHANG Peng，et al（谢利鹏，刘晓龙，张 鹏）. Engineering Plastic Application（工程塑料应用），2021, 49（3）：102.
[6] WANG Yan, LIU Jun-bo, YI Ling-hong, et al（王 岩，刘俊渤, 易灵红，等）. Journal of Molecula Science（分子科学学报）, 2018, 34(2): 103.
[7] SU Chang, ZHANG Jun-ying, YANG Wei, et al（苏 畅，张军营，杨 威，等）. China Adhesives（中国胶粘剂）, 2020, 29(1): 1.
[8] DENG Shu-fen, HUANG Wei, ZHANG Ji-fang, et al（邓淑芬，黄 溦，张继芳）. Acta Physico-Chimica Sinica(物理化学学报）, 2015, 31(10): 1872.
[9] Arbuznikov A V, Sheludyakova L A, Burgina E B. Chemical Physics Letters, 1995, 240(4): 239.
[10] Alía J M, Edwards H G M, Navarro García F J. Journal of Molecular Structure, 2001, 597(1-3): 49.
[11] WU Lin, OUYANG Zhao-hui, CAO Shu-chao, et al（伍 林，欧阳兆辉，曹淑超）. The Journal of Light Scattering（光散射学报）, 2005, 17(2): 180.
[12] Chen Yuanzheng, Men Zhiwei, Li Juntao, et al. The Journal of Chemical Physics, 2014, 140(16): 164310.
[13] Zhou Mi, Sun Meijiao, Men Zhiwei, et al. The Journal of Physical Chemistry B, 2013, 117(29): 8911.
[14] Zhou Mi, Li Zhanlong, Men Zhiwei, et al. The Journal of Physical Chemistry B, 2012, 116(8): 2414.
[15] Ciabini L, Santoro M, Bini R, et al. Physical Review Letters, 2002, 88: 085505.
[16] Citroni M, Fanetti S, Bini R. The Journal of Physical Chemistry C, 2014, 118(19): 10284.
[17] Zhuravlev K K, Traikov K, Dong Z, et al. Physics Review B, 2010, 82: 064116.
[18] Qian Hao, Wang Zengming, Zhang Hui, et al. Journal of International Pharmaceutical Research, 2020, 47(1): 57.
[19] Hernández I, Gillin W P, Somerton M. Journal of Luminescence, 2009, 129(12): 1835.
[20] Chen Yixin, Li Aijun, Zhao Yue, et al. The European Physical Journal D, 2020, 74: 121.
[21] Piermarini G J. Journal of Research of the National Institute of Standards and Technology, 2001, 106(6): 889.
[22] XIANG Guang-qi, LIU Ai-li, MIU Qian（项光其，刘爱丽，缪 谦）. Journal of Wenzhou University·Natural Science Edition（温州师范学院学报·自然科学版）, 2003, 24(2): 20.
[23] YANG Li, ZHANG Tong-lai, ZHANG Jian-guo，et al（杨 利，张同来，张建国，等）. Initiators and Pyrotechnics（火工品）, 2001, (1): 11.
[24] LIU Shi, CUI Hai-ning, ZHOU Mi（刘 石，崔海宁，周 密）. Spectroscopy and Spectral Analysis（光谱学与光谱分析）, 2017, 37(4): 1016.
[25] Montgomery W, Zaug J M, Howard W M, et al. The Journal of Physical Chemistry B, 2005, 109(41): 19443.
[26] Mitterdorfer C, Bernard J, Klauser F, et al. Journal of Raman Spectroscopy, 2012, 43(1): 108.
[27] Yan Tingting, Wang Kai, Duan Defang, et al. Royal Society of Chemistry Advances, 2014, 4: 15534.
[28] Li Qian, Li Shourui, Wang Kai, et al. The Journal of Chemical Physics, 2013, 138(21): 214505.
[29] Li Shourui, Wang Kai, Zhou Mi, et al. The Journal of Physical Chemistry B, 2011, 115(29): 8981.
|
| [1] |
LI Jie, ZHOU Qu*, JIA Lu-fen, CUI Xiao-sen. Comparative Study on Detection Methods of Furfural in Transformer Oil Based on IR and Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 125-133. |
| [2] |
WANG Fang-yuan1, 2, HAN Sen1, 2, YE Song1, 2, YIN Shan1, 2, LI Shu1, 2, WANG Xin-qiang1, 2*. A DFT Method to Study the Structure and Raman Spectra of Lignin
Monomer and Dimer[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 76-81. |
| [3] |
XING Hai-bo1, ZHENG Bo-wen1, LI Xin-yue1, HUANG Bo-tao2, XIANG Xiao2, HU Xiao-jun1*. Colorimetric and SERS Dual-Channel Sensing Detection of Pyrene in
Water[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 95-102. |
| [4] |
WANG Xin-qiang1, 3, CHU Pei-zhu1, 3, XIONG Wei2, 4, YE Song1, 3, GAN Yong-ying1, 3, ZHANG Wen-tao1, 3, LI Shu1, 3, WANG Fang-yuan1, 3*. Study on Monomer Simulation of Cellulose Raman Spectrum[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 164-168. |
| [5] |
WANG Lan-hua1, 2, CHEN Yi-lin1*, FU Xue-hai1, JIAN Kuo3, YANG Tian-yu1, 2, ZHANG Bo1, 4, HONG Yong1, WANG Wen-feng1. Comparative Study on Maceral Composition and Raman Spectroscopy of Jet From Fushun City, Liaoning Province and Jimsar County, Xinjiang Province[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 292-300. |
| [6] |
LI Wei1, TAN Feng2*, ZHANG Wei1, GAO Lu-si3, LI Jin-shan4. Application of Improved Random Frog Algorithm in Fast Identification of Soybean Varieties[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3763-3769. |
| [7] |
WANG Zhi-qiang1, CHENG Yan-xin1, ZHANG Rui-ting1, MA Lin1, GAO Peng1, LIN Ke1, 2*. Rapid Detection and Analysis of Chinese Liquor Quality by Raman
Spectroscopy Combined With Fluorescence Background[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3770-3774. |
| [8] |
LIU Hao-dong1, 2, JIANG Xi-quan1, 2, NIU Hao1, 2, LIU Yu-bo1, LI Hui2, LIU Yuan2, Wei Zhang2, LI Lu-yan1, CHEN Ting1，ZHAO Yan-jie1*，NI Jia-sheng2*. Quantitative Analysis of Ethanol Based on Laser Raman Spectroscopy Normalization Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3820-3825. |
| [9] |
LU Wen-jing, FANG Ya-ping, LIN Tai-feng, WANG Hui-qin, ZHENG Da-wei, ZHANG Ping*. Rapid Identification of the Raman Phenotypes of Breast Cancer Cell
Derived Exosomes and the Relationship With Maternal Cells[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3840-3846. |
| [10] |
LI Qi-chen1, 2, LI Min-zan1, 2*, YANG Wei2, 3, SUN Hong2, 3, ZHANG Yao1, 3. Quantitative Analysis of Water-Soluble Phosphorous Based on Raman
Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3871-3876. |
| [11] |
GUO He-yuanxi1, LI Li-jun1*, FENG Jun1, 2*, LIN Xin1, LI Rui1. A SERS-Aptsensor for Detection of Chloramphenicol Based on DNA Hybridization Indicator and Silver Nanorod Array Chip[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3445-3451. |
| [12] |
ZHU Hua-dong1, 2, 3, ZHANG Si-qi1, 2, 3, TANG Chun-jie1, 2, 3. Research and Application of On-Line Analysis of CO2 and H2S in Natural Gas Feed Gas by Laser Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3551-3558. |
| [13] |
LIU Jia-ru1, SHEN Gui-yun2, HE Jian-bin2, GUO Hong1*. Research on Materials and Technology of Pingyuan Princess Tomb of Liao Dynasty[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3469-3474. |
| [14] |
LI Wen-wen1, 2, LONG Chang-jiang1, 2, 4*, LI Shan-jun1, 2, 3, 4, CHEN Hong1, 2, 4. Detection of Mixed Pesticide Residues of Prochloraz and Imazalil in
Citrus Epidermis by Surface Enhanced Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3052-3058. |
| [15] |
ZHAO Ling-yi1, 2, YANG Xi3, WEI Yi4, YANG Rui-qin1, 2*, ZHAO Qian4, ZHANG Hong-wen4, CAI Wei-ping4. SERS Detection and Efficient Identification of Heroin and Its Metabolites Based on Au/SiO2 Composite Nanosphere Array[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3150-3157. |
|
|
|
|
