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On distance-based indices of regular dendrimers using automorphism group action 基于自同构群作用的规则树状大分子的距离指数
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2023-01-01 DOI: 10.1515/mgmc-2022-0028
Uzma Ahmad, Muhammad Imran, A. Alanazi, Rabia Yousaf, S. Hameed
{"title":"On distance-based indices of regular dendrimers using automorphism group action","authors":"Uzma Ahmad, Muhammad Imran, A. Alanazi, Rabia Yousaf, S. Hameed","doi":"10.1515/mgmc-2022-0028","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0028","url":null,"abstract":"Abstract The various topological indices are helpful in predicting the bioactivity of molecular compounds in quantitative structure–activity relationship/quantitative structure–property relationship study. The Balaban index and Harary index are the distance-based indices. The sum-Balaban index is another variant of Balaban index. Harary index can be used to indicate the decay of interaction between any two atoms of molecules. Whereas, the Balaban and sum-Balaban indices can be linked with some physico-chemical properties of octanes and lower benzenoids. In this work, the closed expression of Balaban index, sum-Balaban index, and Harary index of some regular dendrimers in the form of parameter m {rm{m}} are computed using the action of automorphism group of these dendrimers.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46266743","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Retraction to “Aluminium(iii), Fe(ii) Complexes and Dyeing Properties of Apigenin(5,7,4′-trihydroxy flavone)” “芹菜素（5，7，4′-三羟基黄酮）的铝、铁配合物及其染色性能”的研究
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2023-01-01 DOI: 10.1515/mgmc-2023-0006
G. Erdoğan, R. Karadag, Aysin Eler
{"title":"Retraction to “Aluminium(iii), Fe(ii) Complexes and Dyeing Properties of Apigenin(5,7,4′-trihydroxy flavone)”","authors":"G. Erdoğan, R. Karadag, Aysin Eler","doi":"10.1515/mgmc-2023-0006","DOIUrl":"https://doi.org/10.1515/mgmc-2023-0006","url":null,"abstract":"","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"2018 8","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41297163","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
On computation of neighbourhood degree sum-based topological indices for zinc-based metal–organic frameworks 锌基金属-有机框架基于邻域度和的拓扑指数计算
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2023-01-01 DOI: 10.1515/mgmc-2022-8043
V. Ravi, Kalyani Desikan, Natarajan Chidambaram
{"title":"On computation of neighbourhood degree sum-based topological indices for zinc-based metal–organic frameworks","authors":"V. Ravi, Kalyani Desikan, Natarajan Chidambaram","doi":"10.1515/mgmc-2022-8043","DOIUrl":"https://doi.org/10.1515/mgmc-2022-8043","url":null,"abstract":"Abstract The permeable materials known as metal–organic frameworks (MOFs) have a large porosity volume, excellent chemical stability, and a unique structure that results from the potent interactions between metal ions and organic ligands. Work on the synthesis, architectures, and properties of various MOFs reveals their utility in a variety of applications, including energy storage devices with suitable electrode materials, gas storage, heterogeneous catalysis, and chemical assessment. A topological index, which is a numerical invariant, predicts the physicochemical properties of chemical entities based on the underlying molecular graph or framework. In this article, we consider two different zinc-based MOFs, namely zinc oxide and zinc silicate MOFs. We compute 14 neighbourhood degree sum-based topological indices for these frameworks, and the numerical and graphical representations of all the aforementioned 14 indices are made.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45153776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Two new zinc(ii) coordination complexes constructed by phenanthroline derivate: Synthesis and structure 邻菲罗啉衍生物合成的两个新的锌(ii)配位配合物:合成与结构
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2023-01-01 DOI: 10.1515/mgmc-2022-8042
Jing-Nan Feng, B. Su, Xin-Hui Yi, Z. Kong, Limin Chang
{"title":"Two new zinc(ii) coordination complexes constructed by phenanthroline derivate: Synthesis and structure","authors":"Jing-Nan Feng, B. Su, Xin-Hui Yi, Z. Kong, Limin Chang","doi":"10.1515/mgmc-2022-8042","DOIUrl":"https://doi.org/10.1515/mgmc-2022-8042","url":null,"abstract":"Abstract Two new Zn(ii) coordination complexes [Zn(L)(dna)(H2O)] (1) and [Zn(L)(glu)]2·H2O (2) (L = 2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, H2dna = 3,5-dinitrosalicylic acid, H2glu = glutaric acid) have been hydrothermally synthesized and characterized by single crystal X-ray diffraction, elemental analysis, fluorescence spectrum, and infrared spectroscopy. For complex 1, the dna2− anion adopts μ 1 -η 1 :η 1 chelating bidentate mode to coordinate with one Zn(ii) atom and π–π stacking interactions are formed between the L ligands. For complex 2, glu2− anions connect Zn(ii) atoms to form a wavy two-dimensional layer, and the L ligands are attached on two sides of the two-dimensional layer.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"24 2","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41290632","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Two novel lead(ii) coordination complexes incorporating phenanthroline derivate: Synthesis and characterization 含菲罗啉衍生物的两种新型铅(ii)配合物:合成和表征
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2023-01-01 DOI: 10.1515/mgmc-2022-8045
Jing-Nan Feng, Zirui Li, Xiuyan Wang
{"title":"Two novel lead(ii) coordination complexes incorporating phenanthroline derivate: Synthesis and characterization","authors":"Jing-Nan Feng, Zirui Li, Xiuyan Wang","doi":"10.1515/mgmc-2022-8045","DOIUrl":"https://doi.org/10.1515/mgmc-2022-8045","url":null,"abstract":"Abstract Two lead(ii) coordination complexes with 2-(4-fluoro-phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline formulated as [Pb(L)2(tlba)2)] (1) and [Pb(L)(dpea)]2 (2) (HTLBA = 2,3,4,5-tetrachlorobenzoic acid, H2dpea = diphenic acid) were synthesized under hydrothermal conditions. In 1, the neighboring [Pb(L)2(tlba)2)] molecules formed into a two-dimensional (2D) layer structure with C–Cl⋯π interactions and N–H⋯O hydrogen bond interactions. For 2, Pb1 and Pb1i ions are connected by four carboxylate groups from two dpea anions to yield a binuclear unit. Two L ligands are situated in two flanks of the dimer. The L ligands from dimers in the vicinity pile up by two π–π interactions to form a 2D supramolecular structure. Moreover, PXRD of 2 was also studied.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47952157","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and crystal structure of an ionic phenyltin(iv) complex of N-salicylidene-valine n -水杨苷-缬氨酸离子苯基锡配合物的合成与晶体结构
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2023-01-01 DOI: 10.1515/mgmc-2023-0001
U. Böhme, Gisela Weling
{"title":"Synthesis and crystal structure of an ionic phenyltin(iv) complex of N-salicylidene-valine","authors":"U. Böhme, Gisela Weling","doi":"10.1515/mgmc-2023-0001","DOIUrl":"https://doi.org/10.1515/mgmc-2023-0001","url":null,"abstract":"Abstract Triethylammonium dichloro[N-[(2-oxyphenyl)methylidene]valinato]-phenyl-tin(iv) was prepared and characterized by spectroscopic methods and single crystal X-ray crystallography. The compound consists of a triethylammonium cation and a tin complex as anion. The tin complex is composed of a tridentate O,N,O-Schiff base ligand coordinated to a SnCl2Ph unit. The tin atom is in distorted octahedral coordination geometry. NMR spectroscopic studies have shown that the unusual hexa-coordinated tin complex was formed as a kinetically controlled product. Storage of the solid product for several years led to a transformation into a thermodynamically stable penta-coordinated tin complex.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42267718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Topological indices for random spider trees 随机蜘蛛树的拓扑索引
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2023-01-01 DOI: 10.1515/mgmc-2022-0025
Saylé Sigarreta, Saylí Sigarreta, H. Cruz-Suárez
{"title":"Topological indices for random spider trees","authors":"Saylé Sigarreta, Saylí Sigarreta, H. Cruz-Suárez","doi":"10.1515/mgmc-2022-0025","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0025","url":null,"abstract":"Abstract In this study, we characterize the structure and some topological indices of a class of random spider trees (RSTs) such as degree-based Gini index, degree-based Hoover index, generalized Zagreb index, and other indices associated with these. We obtain the exact and asymptotic distributions of the number of leaves via probabilistic methods. Moreover, we relate this model to the class of RSTs that evolves in a preferential attachment manner.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46577550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lithium fluoroarylsilylamides and their structural features 氟芳基硅胺锂及其结构特征
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2023-01-01 DOI: 10.1515/mgmc-2023-0012
Sakshi Mohan, Yahya Al Ayi, S. Anandaraj, Marie Cordier, T. Roisnel, J. Carpentier, Y. Sarazin
{"title":"Lithium fluoroarylsilylamides and their structural features","authors":"Sakshi Mohan, Yahya Al Ayi, S. Anandaraj, Marie Cordier, T. Roisnel, J. Carpentier, Y. Sarazin","doi":"10.1515/mgmc-2023-0012","DOIUrl":"https://doi.org/10.1515/mgmc-2023-0012","url":null,"abstract":"Abstract In order to probe the role of Li⋯F interactions toward the stabilisation of low-coordinate lithium complexes, the four fluoroarylsilylamides [LiN(SiMe3)(2-C6H4F)] (1-Li), [LiN(SiMe3)(2,6-C6H3F2)] (2-Li), [LiN(SiMe3)(C6F5)] (3-Li), and [LiN(SiMe2H)(2-C6H4F)] (4-Li) have been synthesised in high yields by deprotonation of the parent amines with nBuLi. They have been comprehensively characterised by multinuclear NMR spectroscopy, and complete assignments were achieved with the help of 2D NMR data. The molecular solid-state structures of [(2-Li)2]∞, [3-Li·Et 2 O]2, and [4-Li]8 were determined by single-crystal X-ray diffraction. They feature unusual coordination patterns, notably for the formation of the polymeric [(2-Li)2]∞ and a unique octagonal, crown-like [4-Li]8. In both structures, the role of Li⋯F non-covalent interactions was the key toward the building of the final architecture. It is shown that Li–F and C–F interatomic distances, along with |1 J C,F| coupling constants, can be used as qualitative tools for the evaluation of the presence and relative strength of Li⋯F contacts.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44835371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Expressions for Mostar and weighted Mostar invariants in a chemical structure 化学结构中Mostar不变量和加权Mostar不变量的表达式
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2022-01-01 DOI: 10.1515/mgmc-2022-0029
Sathish Krishnan, Bharati Rajan, Muhammad Imran
{"title":"Expressions for Mostar and weighted Mostar invariants in a chemical structure","authors":"Sathish Krishnan, Bharati Rajan, Muhammad Imran","doi":"10.1515/mgmc-2022-0029","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0029","url":null,"abstract":"Abstract The bond-additive topological invariants are largely employed to recognize the characteristics of chemical graphs. They provide quantitative measures of peripheral shapes of molecules and attract considerable attention, both in the context of complex networks and in more classical applications of chemical graph theory. In this article, we compute exact analytical expressions of Mostar and weighted Mostar invariants for a chemical structure.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"265 - 271"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45479867","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
An estimation of HOMO–LUMO gap for a class of molecular graphs 一类分子图HOMO–LUMO间隙的估计
IF 1.8 3区 化学
Main Group Metal Chemistry Pub Date : 2022-01-01 DOI: 10.1515/mgmc-2022-0011
S. Hameed, A. Alamer, M. Javaid, Uzma Ahmad
{"title":"An estimation of HOMO–LUMO gap for a class of molecular graphs","authors":"S. Hameed, A. Alamer, M. Javaid, Uzma Ahmad","doi":"10.1515/mgmc-2022-0011","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0011","url":null,"abstract":"Abstract For any simple connected graph G of order n, having eigen spectrum μ 1 ≥ μ 2 ≥ ⋯ ≥ μ n with middle eigenvalues μ H and μ L, where H = ⌊(n + 1)/2⌋ and L = ⌈(n + 1)/2⌉, the HOMO–LUMO gap is defined as as ΔG = μ H = μ L. In this article, a simple upper bound for the HOMO–LUMO gap corresponding to a special class of connected bipartite graphs is estimated. As an application, the upper bounds for the HOMO–LUMO gap of certain classes of nanotubes and nanotori are estimated.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"100 - 105"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49295349","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
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