Citation: ZHANG Fu-Xing, TAO Jing, TANG Dan-Dan, LUO Jing, TANG Peng, KUANG Dai-Zhi, FENG Yong-Lan, ZHU Xiao-Ming. Syntheses, Crystal Structures and Quantum Chemistry of Tri (3, 5-difluorobenzyl) tin Chloride and Tetra (o-chlorobenzyl) tin Chlorde and Tetra (o-chlorobenzyl) tin[J]. Chinese Journal of Inorganic Chemistry, ;2017, 33(4): 644-650. doi: 10.11862/CJIC.2017.073 shu

Syntheses, Crystal Structures and Quantum Chemistry of Tri (3, 5-difluorobenzyl) tin Chloride and Tetra (o-chlorobenzyl) tin Chlorde and Tetra (o-chlorobenzyl) tin

Department of Chemistry and Material Science, Hengyang Normal University, Key Laboratory of Functional Organometallic Materials of Hengyang Normal University, College of Hunan Province, Hengyang, Hunan 421008, China

Corresponding author: ZHANG Fu-Xing, zfx8056@163.com
Received Date: 30 December 2016
Revised Date: 28 February 2017

Figures(5)

Tri (3, 5-difluorobenzyl) tin chloride (1) and tetra (o-chlorobenzyl) tin (2) have been synthesized. The crystal structures of the compounds were determined by X-ray diffraction. The crystal 1 belongs to monoclinic space group C2/c with a=1.858 33(11) nm, b=1.140 98(7) nm, c=2.690 06 (16) nm, β=109.288(10)°, V=5.383 6(6) nm³, Z=8, D_c=1.532 g·cm^-3, μ(Mo Kα)=13.61 cm^-1, F(000)=2 480, R₁=0.085 1, wR₂=0.168 1. The crystal 2 belongs to monoclinic space group P2₁/m with a=0.585 54(5) nm, b=1.969 74(18) nm, c=0.857 86(8) nm, β=95.204 0(10)°, V=0.985 34(15) nm³, Z=2, D_c=1.805 g·cm^-3, μ(Mo Kα)=14.91 cm^-1, F(000)=524, R₁=0.0540, wR₂=0.163 9. The tin atoms have a distorted tetrahedral geometry. The study on two compounds have been performed with quantum chemistry calculation. The stabilities, some frontier molecular orbital energies and composition characteristics of some frontier molecular orbital of the compound have been investigated. The thermal stability of the compounds were tested.
- tri (3, 5-difluorobenzyl) tin chloride,
- tetra (o-chlorobenzyl) tin,
- synthesis,
- crystal structure,
- quantum chemistry
1. [1]
  Khan A, Komejan S, Patel A, et al. J. Organomet. Chem., 2015, 776:180-191 doi: 10.1016/j.jorganchem.2014.11.010
2. [2]
  Wang F, Zhang R F, Cheng S, et al. J. Organomet. Chem., 2015, 789-790:46-51 doi: 10.1016/j.jorganchem.2015.05.003
3. [3]
  Sirajuddin M, Ali S, Tahir M N. Inorg. Chim. Acta, 2016, 439:145-158 doi: 10.1016/j.ica.2015.10.017
4. [4]
  Munoz-Flores B M, Santillán R, Farfán N, et al. J. Organomet. Chem., 2014, 769:64-71 doi: 10.1016/j.jorganchem.2014.07.002
5. [5]
  Carraher Jr C E, Roner M R. J. Organomet. Chem., 2014, 751:67-82 doi: 10.1016/j.jorganchem.2013.05.033
6. [6]
  Chandrasekhar V, Thirumoorthi R, Metre R K, et al. J. Organomet. Chem., 2011, 696(2):600-606 doi: 10.1016/j.jorganchem.2010.09.032
7. [7]
  YIN Han-Dong, GAO Zhong-Jun, XU Hao-Long, et al. Chinese J. Inorg. Chem., 2006, 22(2):371~374
8. [8]
  Schurmann M, Silvestri A, Ruisi G, et al. J. Organomet. Chem., 1999, 584:293-300 doi: 10.1016/S0022-328X(99)00166-7
9. [9]
  WANG Jian-Qiu, ZHANG Fu-Xing, KUANG Dai-Zhi, et al. Chinese J. Org. Chem., 2004, 24(1)80~84
10. [10]
  ZHANG Fu-Xing, WANG Jian-Qiu, KUANG Dai-Zhi, et al. Chinese J. Org. Chem, 2003, 23(4):368~371
11. [11]
  ZHANG Fu-Xing, KUANG Dai-Zhi, XU Zhi-Feng, et al. Chinese J. Inorg. Chem., 2002, 18(8):854~858
12. [12]
  WANG Jian-Qiu, ZHANG Fu-Xing, KUANG Dai-Zhi, et al. Chinese J. Inorg. Chem., 2015, 31(2):237-242
13. [13]
  ZHANG Fu-Xing, KUANG Dai-Zhi, FENG Yong-Lan, et al. Chinese J. Inorg. Chem., 2015, 31(6):1194-1200
14. [14]
  Sheldrick G M. SHELXL-97, Program for Crystal Structure Refinement, University of Göttingen, Germany, 1997.
1. [1]
  Xinting XIONG , Zhiqiang XIONG , Panlei XIAO , Xuliang NIE , Xiuying SONG , Xiuguang YI . Synthesis, crystal structures, Hirshfeld surface analysis, and antifungal activity of two complexes Na(Ⅰ)/Cd(Ⅱ) assembled by 5-bromo-2-hydroxybenzoic acid ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1661-1670. doi: 10.11862/CJIC.20240145
2. [2]
  Jing WU , Puzhen HUI , Huilin ZHENG , Pingchuan YUAN , Chunfei WANG , Hui WANG , Xiaoxia GU . Synthesis, crystal structures, and antitumor activities of transition metal complexes incorporating a naphthol-aldehyde Schiff base ligand. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2422-2428. doi: 10.11862/CJIC.20240278
3. [3]
  Changqing MIAO , Fengjiao CHEN , Wenyu LI , Shujie WEI , Yuqing YAO , Keyi WANG , Ni WANG , Xiaoyan XIN , Ming FANG . Crystal structures, DNA action, and antibacterial activities of three tetranuclear lanthanide-based complexes. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2455-2465. doi: 10.11862/CJIC.20240192
4. [4]
  Jingjing QING , Fan HE , Zhihui LIU , Shuaipeng HOU , Ya LIU , Yifan JIANG , Mengting TAN , Lifang HE , Fuxing ZHANG , Xiaoming ZHU . Synthesis, structure, and anticancer activity of two complexes of dimethylglyoxime organotin. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1301-1308. doi: 10.11862/CJIC.20240003
5. [5]
  Yan Liu , Yuexiang Zhu , Luhua Lai . Introduction to Blended and Small-Class Teaching in Structural Chemistry: Exploring the Structure and Properties of Crystals. University Chemistry, 2024, 39(3): 1-4. doi: 10.3866/PKU.DXHX202306084
6. [6]
  Haitang WANG , Yanni LING , Xiaqing MA , Yuxin CHEN , Rui ZHANG , Keyi WANG , Ying ZHANG , Wenmin WANG . Construction, crystal structures, and biological activities of two Ln^Ⅲ₃ complexes. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1474-1482. doi: 10.11862/CJIC.20240188
7. [7]
  Xiaoling LUO , Pintian ZOU , Xiaoyan WANG , Zheng LIU , Xiangfei KONG , Qun TANG , Sheng WANG . Synthesis, crystal structures, and properties of lanthanide metal-organic frameworks based on 2, 5-dibromoterephthalic acid ligand. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1143-1150. doi: 10.11862/CJIC.20230271
8. [8]
  Jia Zhou . Constructing Potential Energy Surface of Water Molecule by Quantum Chemistry and Machine Learning: Introduction to a Comprehensive Computational Chemistry Experiment. University Chemistry, 2024, 39(3): 351-358. doi: 10.3866/PKU.DXHX202309060
9. [9]
  Dongju Zhang , Rongxiu Zhu . Construction of Ideological and Political Education in Quantum Chemistry Course: Several Teaching Cases to Reveal the Universal Connection of Things. University Chemistry, 2024, 39(7): 272-277. doi: 10.3866/PKU.DXHX202311032
10. [10]
  Guoxian Zhu , Jing Chen , Rongkai Pan . Enhancing the Teaching Quality of Atomic Structure: Insights and Strategies. University Chemistry, 2024, 39(3): 376-383. doi: 10.3866/PKU.DXHX202305027
11. [11]
  Weina Wang , Fengyi Liu , Wenliang Wang . “Extracting Commonality, Delving into Typicals, Deriving Individuality”: Constructing a Knowledge Graph of Crystal Structures. University Chemistry, 2024, 39(3): 36-42. doi: 10.3866/PKU.DXHX202308029
12. [12]
  Junqiao Zhuo , Xinchen Huang , Qi Wang . Symbol Representation of the Packing-Filling Model of the Crystal Structure and Its Application. University Chemistry, 2024, 39(3): 70-77. doi: 10.3866/PKU.DXHX202311100
13. [13]
  Jiaming Xu , Yu Xiang , Weisheng Lin , Zhiwei Miao . Research Progress in the Synthesis of Cyclic Organic Compounds Using Bimetallic Relay Catalytic Strategies. University Chemistry, 2024, 39(3): 239-257. doi: 10.3866/PKU.DXHX202309093
14. [14]
  Wenyan Dan , Weijie Li , Xiaogang Wang . The Technical Analysis of Visual Software ShelXle for Refinement of Small Molecular Crystal Structure. University Chemistry, 2024, 39(3): 63-69. doi: 10.3866/PKU.DXHX202302060
15. [15]
  Linjie ZHU , Xufeng LIU . Electrocatalytic hydrogen evolution performance of tetra-iron complexes with bridging diphosphine ligands. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 321-328. doi: 10.11862/CJIC.20240207
16. [16]
  Yongzhi LI , Han ZHANG , Gangding WANG , Yanwei SUI , Lei HOU , Yaoyu WANG . A two-dimensional metal-organic framework for the determination of nitrofurantoin and nitrofurazone in aqueous solution. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 245-253. doi: 10.11862/CJIC.20240307
17. [17]
  Jinfeng Chu , Lan Jin , Yu-Fei Song . Exploration and Practice of Flipped Classroom in Inorganic Chemistry Experiment: a Case Study on the Preparation of Inorganic Crystalline Compounds. University Chemistry, 2024, 39(2): 248-254. doi: 10.3866/PKU.DXHX202308016
18. [18]
  Xin MA , Ya SUN , Na SUN , Qian KANG , Jiajia ZHANG , Ruitao ZHU , Xiaoli GAO . A Tb₂ complex based on polydentate Schiff base: Crystal structure, fluorescence properties, and biological activity. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1347-1356. doi: 10.11862/CJIC.20230357
19. [19]
  Yingchun ZHANG , Yiwei SHI , Ruijie YANG , Xin WANG , Zhiguo SONG , Min WANG . Dual ligands manganese complexes based on benzene sulfonic acid and 2, 2′-bipyridine: Structure and catalytic properties and mechanism in Mannich reaction. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1501-1510. doi: 10.11862/CJIC.20240078
20. [20]
  Xiaowei TANG , Shiquan XIAO , Jingwen SUN , Yu ZHU , Xiaoting CHEN , Haiyan ZHANG . A zinc complex for the detection of anthrax biomarker. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1850-1860. doi: 10.11862/CJIC.20240173

Get Citation

PDF

XML

Metrics

PDF Downloads(3)
Abstract views(499)
HTML views(35)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142