Irregular topological indices of certain metal organic frameworks

IF 1.8 3区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR

Main Group Metal Chemistry Pub Date : 2021-01-01 DOI:10.1515/mgmc-2021-0009

Y. Chu, Muhammad Abid, M. I. Qureshi, A. Fahad, A. Aslam

引用次数: 15

Abstract

Abstract It is interesting to study the molecular topology that provides a base for relationship of physicochemical property of a definite molecule. The topology of a molecule and the irregularity of the structure plays a vital character in shaping properties of the structure like enthalpy and entropy. In this article, we are interested to calculate some irregular topological indices of two classes of metal organic frameworks (MOFs) namely BHT (Butylated hydroxytoluene) based metal (M = Co, Fe, Mn, Cr) organic frameworks (MBHT) and M1TPyP-M2 (TPyP = 5, 10, 15, 20-tetrakis (4-pyridyl) porphyrin and M1, M2, = Fe and Co) MOFs. Also we compare our results graphically.

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某些金属有机框架的不规则拓扑指数

摘要研究分子的拓扑结构是研究特定分子的物理化学性质的基础。分子的拓扑结构和结构的不规则性对形成分子的焓和熵等结构的性质起着至关重要的作用。本文对BHT (Butylated hydroxytoluene)基金属(M = Co, Fe, Mn, Cr)有机骨架(MBHT)和m1tpypp -M2 (TPyP = 5,10,15,20 -四(4-吡啶基)卟啉和M1, M2， = Fe和Co)两类金属有机骨架(MOFs)的一些不规则拓扑指数进行了计算。我们还用图形比较了我们的结果。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Main Group Metal Chemistry CHEMISTRY, INORGANIC & NUCLEAR-CHEMISTRY, ORGANIC

CiteScore

4.10

自引率

27.80%

发文量

审稿时长

4 weeks

期刊介绍： This journal is committed to the publication of short communications, original research, and review articles within the field of main group metal and semi-metal chemistry, Main Group Metal Chemistry is an open-access, peer-reviewed journal that publishes in ongoing way. Papers addressing the theoretical, spectroscopic, mechanistic and synthetic aspects of inorganic, coordination and organometallic main group metal and semi-metal compounds, including zinc, cadmium and mercury are welcome. The journal also publishes studies relating to environmental aspects of these metals, their toxicology, release pathways and fate. Articles on the applications of main group metal chemistry, including in the fields of polymer chemistry, agriculture, electronics and catalysis, are also accepted.