F2＋2HI=2HF＋I2反应机理的研究

doi:10.3866/PKU.WHXB20041115

Acta Phys. -Chim. Sin. ›› 2004, Vol. 20 ›› Issue (11): 1364-1368.doi: 10.3866/PKU.WHXB20041115

• ARTICLE • Previous Articles Next Articles

Kinetics of Synthetic of Cl－ Type Hydrotalcitelike with Coprecipitation Reaction

Han Xiang-Yun;Wang Zun-Yao;Wang Lian-Sheng;Yang Chun-Sheng;Yu Bin

School of Sciences, Nanjing University of Technology, Nanjing　210009;School of the Environment, Nanjing University, Nanjing　210093;Department of Chemical Engineering, Yancheng Institute of Technology, Yancheng　224003

Received:2004-04-16 Revised:2004-07-15 Published:2004-11-15
Contact: Wang Zun-Yao E-mail:wangzun315cn@163.com

Abstract

Abstract: The gas phase reaction mechanism of F2＋2HI=2HF＋I2 has been investigated by B3LYP and MP2 all at 3-21G** base, and a series of four-centred and three-centred transition states have been obtained. The following result is achieved by comparing the activation energy of six reaction paths, i.e. the activation energies of the bimolecular elementary reactions F2＋HI→HF＋IF and IF＋HI→I2＋HF are less than the dissociation energy of F2, HI and IF. It is thus theoretically proved that the title reaction occurs more easily in the bimolecular form with two medium steps.

Key words: Fluorine, Hydrogen iodide, B3LYP, MP2, Transition state, Reaction mechanism, Bimolicular reaction

Han Xiang-Yun;Wang Zun-Yao;Wang Lian-Sheng;Yang Chun-Sheng;Yu Bin. Kinetics of Synthetic of Cl－ Type Hydrotalcitelike with Coprecipitation Reaction[J]. Acta Phys. -Chim. Sin. 2004, 20(11), 1364-1368. doi: 10.3866/PKU.WHXB20041115

[1]	Hanyu Xu, Xuedan Song, Qing Zhang, Chang Yu, Jieshan Qiu. Mechanistic Insights into Water-Mediated CO₂ Electrochemical Reduction Reactions on Cu@C₂N Catalysts: A Theoretical Study [J]. Acta Phys. -Chim. Sin., 2024, 40(1): 2303040-.
[2]	Fengyu Gao, Hengheng Liu, Xiaolong Yao, Zaharaddeen Sani, Xiaolong Tang, Ning Luo, Honghong Yi, Shunzheng Zhao, Qingjun Yu, Yuansong Zhou. Spherical Mn_xCo_3−xO_4−ƞ Spinel with Mn-Enriched Surface as High-Efficiency Catalysts for Low-Temperature Selective Catalytic Reduction of NO_x by NH₃ [J]. Acta Phys. -Chim. Sin., 2023, 39(9): 2212003-0.
[3]	Tianjie Wang, Yaowei Wang, Yuhui Chen, Jianpeng Liu, Huibing Shi, Limin Guo, Zhiwei Zhao, Chuntai Liu, Zhangquan Peng. Toward Practical Lithium-Air Batteries by Avoiding Negative Effects of CO₂ [J]. Acta Phys. -Chim. Sin., 2022, 38(8): 2009071-.
[4]	Xianhong Chen, Pengchao Ruan, Xianwen Wu, Shuquan Liang, Jiang Zhou. Crystal Structures, Reaction Mechanisms, and Optimization Strategies of MnO₂ Cathode for Aqueous Rechargeable Zinc Batteries [J]. Acta Phys. -Chim. Sin., 2022, 38(11): 2111003-.
[5]	Ying Li, Xueqi Lai, Jinpeng Qu, Qinzhi Lai, Tingfeng Yi. Research Progress in Regulation Strategies of High-Performance Antimony-Based Anode Materials for Sodium Ion Batteries [J]. Acta Phys. -Chim. Sin., 2022, 38(11): 2204049-.
[6]	Peng Chen, Ying Zhou, Fan Dong. Advances in Regulation Strategies for Electronic Structure and Performance of Two-Dimensional Photocatalytic Materials [J]. Acta Phys. -Chim. Sin., 2021, 37(8): 2010010-.
[7]	Dong Liu, Shengtao Chen, Renjie Li, Tianyou Peng. Review of Z-Scheme Heterojunctions for Photocatalytic Energy Conversion [J]. Acta Phys. -Chim. Sin., 2021, 37(6): 2010017-.
[8]	Yuanyuan HU,Congyang WANG. Bimetallic C―H Activation in Homogeneous Catalysis [J]. Acta Physico-Chimica Sinica, 2019, 35(9): 913-922.
[9]	Yue ZHAO,Jiatong CUI,Jichuang HU,Jiabi MA. Reactivities of VO_1–4⁺ Toward n-C_mH_2m+2 (m = 3, 5, 7) as Functions of Oxygen Content and Carbon Chain Length [J]. Acta Phys. -Chim. Sin., 2019, 35(5): 531-538.
[10]	Bihua CHEN,H. M. ELAGEED Elnazeer,Yongya ZHANG,Guohua GAO. BmmimOAc-Catalyzed Direct Condensation of 2-(Arylamino) Alcohols to Synthesize 3-Arylthiazolidine-2-thiones [J]. Acta Phys. -Chim. Sin., 2018, 34(8): 952-958.
[11]	Ulises OROZCO-VALENCIA,L. GÁZQUEZ José,Alberto VELA. Reactivity of Indoles through the Eyes of a Charge-Transfer Partitioning Analysis [J]. Acta Phys. -Chim. Sin., 2018, 34(6): 692-698.
[12]	Chunxing REN,Xiaoxia LI,Li GUO. Reaction Mechanisms in the Thermal Decomposition of CL-20 Revealed by ReaxFF Molecular Dynamics Simulations [J]. Acta Phys. -Chim. Sin., 2018, 34(10): 1151-1162.
[13]	Jian-Ping QIU,Yi-Wen TONG,De-Ming ZHAO,Zhi-Qiao HE,Jian-Meng CHEN,Shuang SONG. Electrochemical Reduction of CO₂ to Methanol at TiO₂ Nanotube Electrodes [J]. Acta Phys. -Chim. Sin., 2017, 33(7): 1411-1420.
[14]	Zi-Min WANG,Mo ZHENG,Yong-Bing XIE,Xiao-Xia LI,Ming ZENG,Hong-Bin CAO,Li GUO. Molecular Dynamics Simulation of Ozonation of p-Nitrophenol at Room Temperature with ReaxFF Force Field [J]. Acta Phys. -Chim. Sin., 2017, 33(7): 1399-1410.
[15]	Ying-Jie ZHANG,Zi-Yi ZHU,Peng DONG,Zhen-Ping QIU,Hui-Xin LIANG,Xue LI. New Research Progress of the Electrochemical Reaction Mechanism, Preparation and Modification for LiFePO₄ [J]. Acta Phys. -Chim. Sin., 2017, 33(6): 1085-1107.

Kinetics of Synthetic of Cl－ Type Hydrotalcitelike with Coprecipitation Reaction

PDF

Like

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Metrics

Recommended 0