On Some Topological Indices of Metal-Organic Frameworks

被引:6
作者
Yu, Yun [1 ]
Khalid, Asma [2 ]
Aamir, Muhammad [2 ]
Siddiqui, Muhammad Kamran [3 ]
Muhammad, Mehwish Hussain [4 ]
Bashir, Yasir [5 ]
机构
[1] Anhui Xinhua Univ, Sch Big Data & Artificial Intelligence, Hefei, Peoples R China
[2] Air Univ Islamabad, Dept Math, Multan Campus, Multan, Pakistan
[3] Comsats Univ Islamabad, Dept Math, Lahore Campus, Lahore, Pakistan
[4] Zhengzhou Univ, Coll Chem, Sch Chem Engn & Energy, Zhengzhou, Peoples R China
[5] COMSATS Univ Islamabad, Dept Math, Wah Campus, Wah, Pakistan
关键词
Multiple Zagreb indices; augmented Zagreb index; forgotten index; metal-organic frameworks; ZAGREB INDEXES; LINE GRAPHS;
D O I
10.1080/10406638.2022.2105909
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
Topological indices are very important because they are used in the study of QSAR (Quantitative Structure-Activity Relationships) and QSPR (Quantitative Structure-Property Relationships) which are mathematical models that show the properties among physicochemical, environmental, and biological activity of a chemical structure. The chemical structure of a molecular graph is used to find the topological indices, which are widely used in theoretical chemistry, environmental chemistry, toxicology, and many others for correlation analysis. Topological indices are numerical values that helps us in measuring the physical and chemical properties of any molecule. In this article, we have calculated some degree-based topological indices of two categories of Metal-Organic Frameworks (MOFs), named as, CoBHT (cobalt butylated hydroxytoluene) and FeTPyP (Iron tetrakis pyridyl porphyrin)-CO (MOFs), also their graphical results are compared at the end.
引用
收藏
页码:5607 / 5628
页数:22
相关论文
共 50 条
  • [41] Pore Chemistry of Metal-Organic Frameworks
    Ji, Zhe
    Wang, Haoze
    Canossa, Stefano
    Wuttke, Stefan
    Yaghi, Omar M.
    ADVANCED FUNCTIONAL MATERIALS, 2020, 30 (41)
  • [42] Hydrocarbon Separations in Metal-Organic Frameworks
    Herm, Zoey R.
    Bloch, Eric D.
    Long, Jeffrey R.
    CHEMISTRY OF MATERIALS, 2014, 26 (01) : 323 - 338
  • [43] Shaping of metal-organic frameworks at the interface
    Wang, Jierui
    Zhu, He
    Zhu, Shiping
    CHEMICAL ENGINEERING JOURNAL, 2023, 466
  • [44] Metal-Organic Frameworks for Oxygen Storage
    DeCoste, Jared B.
    Weston, Mitchell H.
    Fuller, Patrick E.
    Tovar, Trenton M.
    Peterson, Gregory W.
    LeVan, M. Douglas
    Farha, Omar K.
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2014, 53 (51) : 14092 - 14095
  • [45] Photoswitchable Conductive Metal-Organic Frameworks
    Liu, Yidong
    Mostaghimi, Mersad
    Chandresh, Abhinav
    Jana, Saibal
    Wenzel, Wolfgang
    Heinke, Lars
    ADVANCED FUNCTIONAL MATERIALS, 2025,
  • [46] Multifunctional Metal-Organic Frameworks for Photocatalysis
    Wang, Sibo
    Wang, Xinchen
    SMALL, 2015, 11 (26) : 3097 - 3112
  • [47] Naturally occuring metal-organic frameworks
    Huskic, Igor
    Friscic, Tomislav
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2015, 71 : S57 - S58
  • [48] Metal-Organic Frameworks for Photo/Electrocatalysis
    Gao, Junkuo
    Huang, Qing
    Wu, Yuhang
    Lan, Ya-Qian
    Chen, Banglin
    ADVANCED ENERGY AND SUSTAINABILITY RESEARCH, 2021, 2 (08):
  • [49] Hydrogen Storage in Metal-Organic Frameworks
    Sun, Yubiao
    Wang, Li
    Amer, Wael A.
    Yu, Haojie
    Ji, Jing
    Huang, Liang
    Shan, Jie
    Tong, Rongbai
    JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS, 2013, 23 (02) : 270 - 285
  • [50] Phase engineering of metal-organic frameworks
    Ma, Chen
    Zheng, Long
    Wang, Gang
    Guo, Jun
    Li, Liuxiao
    He, Qiyuan
    Chen, Ye
    Zhang, Hua
    AGGREGATE, 2022, 3 (01):