Home

Citation: Liu Chun-Wan, Wang Wen-Liang, Li Juan. EHMO Studies on the Participation of 3d Orbital of the Quad-bridging Sulfur Atom in the Bonding Formation of Cluster [M₄S₂][J]. Acta Physico-Chimica Sinica, ;1994, 10(02): 130-134. doi: 10.3866/PKU.WHXB19940208 shu

EHMO Studies on the Participation of 3d Orbital of the Quad-bridging Sulfur Atom in the Bonding Formation of Cluster [M₄S₂]

1.
Fujian Institute of Research on the structure of Matter, Chinese Academy of Sciences, State Key Laboratory of Structural Chemistry, Fuzhou 350002

Received Date: 10 July 1992
Available Online: 15 February 1994

The electronic structures of cluster compounds [M_4S_2](M=Co, Nb) were calculated by using EHMO method. According to the comparision of total energies, orbital levels, charge distributions and Muiliken bond orders before and after including 3d orbitals of sulfur, it was found that 3d orbitals of the quad-bridging sulfer atom in the cluster [M_4S_2]play an boortant role in the formation of stable structural unit.
- Cluster,
- Quad-bridging sulfur atom,
- 3d-orbital bonding,
- EHMO
  ,
1. [1]
  Linhan Tian , Changsheng Lu . Discussion on Sextuple Bonding in Diatomic Motifs of Chromium Family Elements. University Chemistry, 2024, 39(8): 395-402. doi: 10.3866/PKU.DXHX202401056
2. [2]
  Wenke ZHENG , Ce LIU , Wei CHEN , Hongshan KE , Fanlong ZENG , Yibo LEI , Anyang LI , Wenyuan WANG . Synthesis and bonding analysis of low-coordinate Fe and Cr complexes with ultra-bulky silylamino groups. Chinese Journal of Inorganic Chemistry, 2025, 41(7): 1285-1293. doi: 10.11862/CJIC.20250095
3. [3]
  Jiaqi AN , Yunle LIU , Jianxuan SHANG , Yan GUO , Ce LIU , Fanlong ZENG , Anyang LI , Wenyuan WANG . Reactivity of extremely bulky silylaminogermylene chloride and bonding analysis of a cubic tetragermylene. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1511-1518. doi: 10.11862/CJIC.20240072
4. [4]
  Shengwen XU , Longlong YANG , Houji CAO , Deshuang TU , Xing WEI , Changsheng LU , Hong YAN . Research progress on light-induced functionalization of polyhedral carborane clusters. Chinese Journal of Inorganic Chemistry, 2025, 41(11): 2187-2200. doi: 10.11862/CJIC.20250192
5. [5]
  Qin Hou , Jiayi Hou , Aiju Shi , Xingliang Xu , Yuanhong Zhang , Yijing Li , Juying Hou , Yanfang Wang . Preparation of Cuprous Iodide Coordination Polymer and Fluorescent Detection of Nitrite: A Comprehensive Chemical Design Experiment. University Chemistry, 2024, 39(8): 221-229. doi: 10.3866/PKU.DXHX202312056
6. [6]
  Jiaxun Wu , Mingde Li , Li Dang . The R eaction of Metal Selenium Complexes with Olefins as a Tutorial Case Study for Analyzing Molecular Orbital Interaction Modes. University Chemistry, 2025, 40(3): 108-115. doi: 10.12461/PKU.DXHX202405098
7. [7]
  Yuexi Guo , Zhaoyang Li , Jingwei Dai . Charlie and the 3D Printing Chocolate Factory. University Chemistry, 2024, 39(9): 235-242. doi: 10.3866/PKU.DXHX202309067
8. [8]
  Jingwen Wang , Peizhang Zhao , Mengmeng Li , Jun Li , Yunfeng Lin . Remedying infectious bone defects via 3D printing technology. Chinese Chemical Letters, 2025, 36(9): 110686-. doi: 10.1016/j.cclet.2024.110686
9. [9]
  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
10. [10]
  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
11. [11]
  Qi Zhang , Bin Han , Yucheng Jin , Mingrun Li , Enhui Zhang , Jianzhuang Jiang . 2D and 3D phthalocyanine covalent organic frameworks for electrocatalytic carbon dioxide reduction. Chinese Chemical Letters, 2025, 36(9): 110330-. doi: 10.1016/j.cclet.2024.110330
12. [12]
  Jie XIE , Hongnan XU , Jianfeng LIAO , Ruoyu CHEN , Lin SUN , Zhong JIN . Nitrogen-doped 3D graphene-carbon nanotube network for efficient lithium storage. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1840-1849. doi: 10.11862/CJIC.20240216
13. [13]
  Xi Xu , Chaokai Zhu , Leiqing Cao , Zhuozhao Wu , Cao Guan . Experiential Education and 3D-Printed Alloys: Innovative Exploration and Student Development. University Chemistry, 2024, 39(2): 347-357. doi: 10.3866/PKU.DXHX202308039
14. [14]
  Qiang Zhou , Pingping Zhu , Wei Shao , Wanqun Hu , Xuan Lei , Haiyang Yang . Innovative Experimental Teaching Design for 3D Printing High-Strength Hydrogel Experiments. University Chemistry, 2024, 39(6): 264-270. doi: 10.3866/PKU.DXHX202310064
15. [15]
  Chengmin Hu , Pingxuan Liu , Ziyang Song , Yaokang Lv , Hui Duan , Li Xie , Ling Miao , Mingxian Liu , Lihua Gan . Tailor-made overstable 3D carbon superstructures towards efficient zinc-ion storage. Chinese Chemical Letters, 2025, 36(4): 110381-. doi: 10.1016/j.cclet.2024.110381
16. [16]
  Run Chai , Qiujie Wu , Yongchao Liu , Xiaohui Song , Xuyong Feng , Yi Sun , Hongfa Xiang . A 3D dual layer host with enhanced sodiophilicity as stable anode for high-energy sodium metal batteries. Chinese Chemical Letters, 2025, 36(6): 110007-. doi: 10.1016/j.cclet.2024.110007
17. [17]
  Zhilong Jiang , Qiaolin Chen , Min Wang , Fengxue Liu , Xiaojie Huang , Bangtang Chen , Qiangqiang Dong , Mingzhao Chen , Yifan Lin , Pingshan Wang , Jun Wang . 3D fractal expanding of a Sierpiński triangular-faced supramolecular cage for enhanced photocatalytic performance. Chinese Chemical Letters, 2026, 37(1): 111168-. doi: 10.1016/j.cclet.2025.111168
18. [18]
  Lu Zheng , Yueying Sun , Xin Ding , Jitao Liu . Preparation of 3D Printed Metamaterials Based on Molecular Design. University Chemistry, 2026, 41(1): 253-263. doi: 10.12461/PKU.DXHX202506019
19. [19]
  Zhen Zhang , Jie Liu , Hongwei Kang , Cuibing Bai , Jitang Chen . Exploration of 3D Printing-Assisted Teaching of Chemical Engineering Principles Driven by New Quality Productive Forces. University Chemistry, 2026, 41(2): 21-27. doi: 10.12461/PKU.DXHX202501021
20. [20]
  Jialiang Liu , Chengtao Gong , Jinchen Qian , Sen Wang , Yi Liang , Chenglong Guo , Yongwu Peng , Jun Pan . Fluorophore integration strategy endowing 3D covalent organic frameworks with dual-mode white light emission. Chinese Chemical Letters, 2026, 37(4): 111522-. doi: 10.1016/j.cclet.2025.111522

Get Citation

PDF

XML

Metrics

PDF Downloads(2109)
Abstract views(3422)
HTML views(21)

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

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return

EHMO Studies on the Participation of 3d Orbital of the Quad-bridging Sulfur Atom in the Bonding Formation of Cluster [M4S2]

Metrics

通讯作者: 陈斌, bchen63@163.com

EHMO Studies on the Participation of 3d Orbital of the Quad-bridging Sulfur Atom in the Bonding Formation of Cluster [M₄S₂]