光谱学与光谱分析 |
|
|
|
|
|
Ion Solvation and Ion Association in High-Concentration of NaBF4 /DMF Solutions |
XUAN Xiao-peng1, 2, TANG Jun-ming1, WANG Jian-ji1*, WANG Han-qing2 |
1. Department of Chemistry, Henan Normal University, Xinxiang 453007, China 2. Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China |
|
|
Abstract Ion solvation and ion association in solutions of NaBF4/DMF were studied by infrared and Raman spectroscopy and ab initio quantum chemistry. It was found that the sodium cation interacts on oxygen atom of CO group in DMF molecules. The solvation number of Na+, four, was obtained according to the change analysis of CH3 rocking band. The splitting of the ν1 mode of BF-4 anion indicates the presence of contact ion pairs. Ionic association degree increases with increasing molality of the salt. The solvated structure of Na+ and the geometry of Li+BF-4 ion pair were also suggested based on the ab initio calculations.
|
Received: 2003-12-06
Accepted: 2004-04-19
|
|
Corresponding Authors:
WANG Jian-ji
|
|
Cite this article: |
XUAN Xiao-peng,TANG Jun-ming,WANG Jian-ji, et al. Ion Solvation and Ion Association in High-Concentration of NaBF4 /DMF Solutions [J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2005, 25(04): 548-552.
|
|
|
|
URL: |
https://www.gpxygpfx.com/EN/Y2005/V25/I04/548 |
[1] Venkatasetty H V. Lithium battery Technology(Ed. by H. V. Venkatasetty). New York: John Wiley and Sons, 1984. 137. [2] Alia J M, Edwards H G M. Vib. Spectrosc., 2000, 24: 185. [3] Alia J M, Mera D, Edwards H G M, Garcia F J, Lawson E E. Z. Phys. Chem., 1996, 196: 209. [4] Xuan X P, Wang J J, Tang J M et al. Spectrochim. Acta A, 2001, 56: 2131. [5] Xuan X P, Wang J J, Lu J S et al. Spectrochim. Acta A, 2001, 57: 1555. [6] Wang J J, Xuan X P, Lu J S et al. Z. Phys. Chem., 2001, 215: 437. [7] Frisch M J, Trucks G W, Schlegel H B et al. Gaussian 98 (Revision A.11), Gaussian, Inc., Pittsburgh PA, 2003. [8] Becke A O. J. Chem. Phys., 1993, 98: 5648. [9] Marcus Y. Ion Solvation. Chichester: John Wiley and Sons, 1985. 130. [10] Umebayashi Y, Matsumoto K, Watanabe M, Ishiguro S. Phys. Chem. Chem. Phys., 2001,3: 5475. [11] Xuan X P, Zhang H, Wang J J, Wang H. J. Raman Spectrosc., 2003, 34: 465. [12] Deng Z, Irish D E. Can. J. Chem., 1991; 69: 1766. [13] Krestov G A, Novosyolov N P, Perelygin I S, Safonova L P, Ovachinnikova V D, Trostin V N. Ioinic Solvation. Chichester: Ellis Horwood Ltd., 1994. 148. [14] Schultz G, Hargittai I. J. Phys. Chem., 1993, 97: 4966. [15] Lewis L R, Edwards H. Handbook of Raman Spectroscopy. New York: Marcel Dekker, Inc., 2001. [16] Cances M T, Mennucci V, Tomasi J. J. Chem. Phys., 1997, 107: 3032.
|
[1] |
XU Tian1, 2, LI Jing1, 2, LIU Zhen-hua1, 2*. Remote Sensing Inversion of Soil Manganese in Nanchuan District, Chongqing[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 69-75. |
[2] |
LAN Yan1,WANG Wu1,XU Wen2,CHAI Qin-qin1*,LI Yu-rong1,ZHANG Xun2. Discrimination of Planting and Tissue-Cultured Anoectochilus Roxburghii Based on SMOTE and Inception-CNN[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 158-163. |
[3] |
GU Yi-lu1, 2,PEI Jing-cheng1, 2*,ZHANG Yu-hui1, 2,YIN Xi-yan1, 2,YU Min-da1, 2, LAI Xiao-jing1, 2. Gemological and Spectral Characterization of Yellowish Green Apatite From Mexico[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 181-187. |
[4] |
LI He1, WANG Yu2, FAN Kai2, MAO Yi-lin2, DING Shi-bo3, SONG Da-peng3, WANG Meng-qi3, DING Zhao-tang1*. Evaluation of Freezing Injury Degree of Tea Plant Based on Deep
Learning, Wavelet Transform and Visible Spectrum[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 234-240. |
[5] |
LIU Xin-peng1, SUN Xiang-hong2, QIN Yu-hua1*, ZHANG Min1, GONG Hui-li3. Research on t-SNE Similarity Measurement Method Based on Wasserstein Divergence[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3806-3812. |
[6] |
GUO Na1, 2, WANG Xin-chen3*. Different Types of Deposits in Porphyry Metallogenic System Identified by 2 200 nm Al—OH Group Vibration[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3492-3496. |
[7] |
YAN Xing-guang, LI Jing*, YAN Xiao-xiao, MA Tian-yue, SU Yi-ting, SHAO Jia-hao, ZHANG Rui. A Rapid Method for Stripe Chromatic Aberration Correction in
Landsat Images[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3483-3491. |
[8] |
ZHANG Yu-hui1, 2, DING Yong-kang3, PEI Jing-cheng1, 2*, GU Yi-lu1, 2, YU Min-da1, 2. Chemical Constituents and Spectra Characterization of Monocrystal
Rhodonite From Brazil[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3504-3508. |
[9] |
HUANG Hua1, LIU Ya2, KUERBANGULI·Dulikun1, ZENG Fan-lin1, MAYIRAN·Maimaiti1, AWAGULI·Maimaiti1, MAIDINUERHAN·Aizezi1, GUO Jun-xian3*. Ensemble Learning Model Incorporating Fractional Differential and
PIMP-RF Algorithm to Predict Soluble Solids Content of Apples
During Maturing Period[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3059-3066. |
[10] |
TAO Long-feng1, 2, LIU Chang-jiang2, LIU Shu-hong3, SHI Miao2, HAN Xiu-li1*. Preparation and Spectral Characteristics of Mn2+ Doped Nephrite Tailings Glass[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2710-2714. |
[11] |
YE Zi-yi, LIU Shuang, ZHANG Xin-feng*. Screening of DNA Dyes for Colorimetric Sensing Via Rapidly Inducing Gold Nanoparticles Aggregation[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2805-2810. |
[12] |
CHEN Wen-jing, XU Nuo, JIAO Zhao-hang, YOU Jia-hua, WANG He, QI Dong-li, FENG Yu*. Study on the Diagnosis of Breast Cancer by Fluorescence Spectrometry Based on Machine Learning[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2407-2412. |
[13] |
WANG Jin-hua, DAI Jia-le*, LI Meng-qian, LIU Wei, MIAO Ruo-fan. Blind Separation Algorithm of Mixed Minerals Hyperspectral Base on NMF Mode[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2458-2466. |
[14] |
FAN Ya-wen, LIU Yan-ping*, QIU Bo, JIANG Xia, WANG Lin-qian, WANG Kun. Research on Spectral Classification of Stellar Subtypes Based on
SSTransformer[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2523-2528. |
[15] |
TANG Xiao-xiao1, 2, LI Jian-yu1, 3, 4*, XU Gang1, 3, 4, SUN Feng-ying1, 3, 4, DAI Cong-ming1, 3, 4, WEI He-li1, 3, 4. Mixing Calibration Method for Spectral Sun-Photometer[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2536-2542. |
|
|
|
|