|
|
|
|
|
|
Two-Dimensional Correlation Raman Spectroscopic Analysis of CuCl2/DMF Solution Under Temperature Disturbance |
WU Xiao-jing1, LI Zhi1, LI Zi-xuan1, LI Xing-xing1, CHENG Long-jiu2 |
1. School of Chemistry and Chemical Engineering, Hefei University of Technology, Hefei 230009, China
2. College of Chemistry and Chemical Engineering, Anhui University, Hefei 230601, China |
|
|
Abstract The spectroscopic study of the solution has always attracted the attention of chemists, but most of them are based on one-dimensional spectroscopy. There are many disadvantages, such as low resolution, greatly affected by the error, overlapping peaks are difficult to distinguish and so on. So that we cannot get the information we need clarification. These problems were well solved by the introduction of two-dimensional correlation spectroscopy. By correlation analysis and calculation of dynamic spectra under external disturbances, the overall change information of spectral intensity can be obtained, which can significantly improve the resolution of one-dimensional spectroscopy and the separation degree of overlapping peaks. It has unique advantages in judging the response order of different functional groups under specific external disturbance and studying the weak intermolecular and intramolecular interactions. In this article, two-dimensional correlation Raman spectroscopy and theoretical calculation have been combined to the analysis of the micro clusters in solution. The target solution (pure DMF and CuCl2/DMF solution of 0.84 mol·L-1) was studied by micro confocal laser Raman spectrometer. The results have shown that, in the range of C—N bond stretching vibration band, due to the addition of CuCl2, thestrength of the characteristic peak decreases greatly, and the peak width becomes large. Furthermore, it could be found that there is a new peak at 1 115 cm-1, With the rise of temperature, the strength of stretching vibration peak decreases gradually, and the peak shape becomes slow. It is concluded that different types of micro clusters have different sensitivity to temperature with the help of moving-window two-dimensional Raman (MW2D Raman) spectroscopy. in addition, with the increase of temperature, they transform into each other and change at different rates. In order to obtain the essence of the micro cluster movement in the solution, the target solution was analyzed by two-dimensional Raman(2D Raman)spectroscopy with temperature as the external disturbance. It is found that the addition of Cu2+ makes the solution system more complex. In addition to the cluster structure existing in the original solvent, there is also the cluster structure solvated with Cu2+, and there is a certain transformation between them. Furthermore, the optimized possible cluster structures and thermodynamic data were calculated by densityfunctional theory. The results confirmed the interaction between Cu2+ and DMF, and the stability of the cluster configurations [Cu(DMF)n]2+(n=1~6) gradually deteriorated with the increase of n. The feasibility and correctness of two-dimensional correlation spectroscopy analysis are verified.
|
Received: 2019-11-26
Accepted: 2020-04-02
|
|
|
[1] Malloum A, Fifen J J, Conradie J. Physical Chemistry Chemical Physics, 2018, 20(46): 29184.
[2] Hafiz M A Rahman, Glenn Hefter, Anna Placzek. The Journal of Physical Chemistry B, 2015, 115(10): 2234.
[3] Anamika Mukhopadhyay, Pankaj Dubey. Journal of Raman Spectroscopy, 2018, 49(4): 736.
[4] Park Y, Noda I, Jung Y M. Journal of Molecular Strcture, 2016, 1124: 11.
[5] Kratochvil H T, Carr J K, Matulef K, et al. Science, 2016, 353(6303): 1040.
[6] Aleksandra W B, Mateusz K, Jacek C, et al. Journal of Molecular Strcture, 2014, 1069: 305.
[7] Venkataramanan, Sathiyamoorthy N. Journal of Molecular Modeling, 2016, 22(7): 151.
[8] WU Xiao-jing, LIU A-zuan(吴晓静,刘阿钻). Chem. J. Chinese Universities(高等学校化学学报), 2017, 38(12): 2220.
[9] Ranjan P, Tulika, Laha R, et al. Journal of Raman Spectroscopy, 2017, 48(4): 586.
[10] Jin Ying, Kotula A P, Walker A R H, et al. Journal of Raman Spectroscopy, 2016, 47(11): 1375.
[11] Dunbar J A, Arthur E J, White A M, et al. The Journal of Physical Chemistry B, 2015, 119(20): 6271. |
[1] |
BAI Xi-lin1, 2, PENG Yue1, 2, ZHANG Xue-dong1, 2, GE Jing1, 2*. Ultrafast Dynamics of CdSe/ZnS Quantum Dots and Quantum
Dot-Acceptor Molecular Complexes[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 56-61. |
[2] |
WAN Mei, ZHANG Jia-le, FANG Ji-yuan, LIU Jian-jun, HONG Zhi, DU Yong*. Terahertz Spectroscopy and DFT Calculations of Isonicotinamide-Glutaric Acid-Pyrazinamide Ternary Cocrystal[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3781-3787. |
[3] |
ZHANG Yan-dong1, WU Xiao-jing1*, LI Zi-xuan1, CHENG Long-jiu2. Two-Dimensional Infrared Spectroscopic Study of Choline
Chloride/Glycerin Solution Disturbed by Temperature[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3047-3051. |
[4] |
YU De-guan1, CHEN Xu-lei1, WENG Yue-yue2, LIAO Ying-yi3, WANG Chao-jie4*. Computational Analysis of Structural Characteristics and Spectral
Properties of the Non-Prodrug-Type Third-Generation
Cephalosporins[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3211-3222. |
[5] |
WANG Yi-ru1, GAO Yang2, 3, WU Yong-gang4*, WANG Bo5*. Study of the Electronic Structure, Spectrum, and Excitation Properties of Sudan Red Ⅲ Molecule Based on the Density Functional Theory[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2426-2436. |
[6] |
LIU Guo-peng1, YOU Jing-lin1*, WANG Jian1, GONG Xiao-ye1, ZHAO Yu-fan1, ZHANG Qing-li2, WAN Song-ming2. Application of Aerodynamic Levitator Laser Heating Technique: Microstructures of MgTi2O5 Crystal and Melt by in-situ Superhigh Temperature Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2507-2513. |
[7] |
TANG Yan1, YANG Yun-fan1, HU Jian-bo1, 2, ZHANG Hang2, LIU Yong-gang3*, LIU Qiang-qiang4. Study on the Kinetic Process and Spectral Properties of the Binding of Warfarin to Human Serum Protein[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(07): 2099-2104. |
[8] |
SUN Zhi-shen1, LIU Yong-gang2, 3, ZHANG Xu1, GUO Teng-xiao1*, CAO Shu-ya1*. Study on the Near-Infrared Spectra of Sarin Based on Density
Functional Theory[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(06): 1765-1769. |
[9] |
LIANG Xiao-rui1, CONG Jing-xian2, LI Yin1, LIU Jie1, JIN Liang-jie1, SUN Xiao-wei1, LI Xiao-dong3. Study on Vibrational Spectra of Cypermethrin Based on Density Functional Theory[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(05): 1381-1386. |
[10] |
CI Cheng-gang*, ZANG Jie-chao, LI Ming-fei*. DFT Study on Spectra of Mn-Carbonyl Molecular Complexes[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(05): 1434-1441. |
[11] |
AN Huan1, YAN Hao-kui2, XIANG Mei1*, Bumaliya Abulimiti1*, ZHENG Jing-yan1. Spectral and Dissociation Characteristics of p-Dibromobenzene Based on External Electric Field[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(02): 405-411. |
[12] |
XU Meng-lei1, 2, GAO Yu3, ZHU Lin1, HAN Xiao-xia1, ZHAO Bing1*. Improved Sensitivity of Localized Surface Plasmon Resonance Using Silver Nanoparticles for Indirect Glyphosate Detection Based on Ninhydrin Reaction[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(01): 320-323. |
[13] |
GU Yi-fan1, LIAN Shuai1, GAO Xun1*, SONG Shao-zhong2*, LIN Jing-quan1. Effect of Au Polymer Adsorption Sites on Surface Enhanced Raman Spectroscopy of Amitrole Molecule[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(12): 3709-3713. |
[14] |
WANG Fang1, 3, ZHU Nan2, CHEN Jing-yi1, ZAN Jia-nan3, XIAO Zi-kang1, LIU Chang1, LIU Yun-fei3*. Infrared Spectroscopy Study on Temperature Characteristics of Several Common Antibiotics and Therapeutic COVID-19 Drugs[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(12): 3719-3729. |
[15] |
LI Zi-xuan1, LIU Hong2, ZHANG Yan-dong1, WU Xiao-jing1*, CHENG Long-jiu3. Study on Phase Transition of Myristic Acid by Two-Dimensional Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(09): 2763-2767. |
|
|
|
|