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Main Group Metal Chemistry
Scopus
ISSN 2191-0219 · De Gruyter · 1.347 artikel di indeks
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Artikel Jurnal
Using R topological indices for QSPR analysis of octanes
Mathematical chemistry is the study of a chemical substance’s molecular structure as a graph and the use of computational methods and graph theory to mathematical problems. One important tool in this field that gives a network structure a numerical value is the topological index. It can be thought…
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Artikel Jurnal
Structural insights into square-heptagonal kinks: a study of degree-based descriptors
Square-heptagonal kink chains are important polygonal structures in chemical graph theory with relevance to materials science, nanotechnology, and engineering. In these chains, kinks arise when the local arrangement of square and heptagonal units causes a deviation from linearity. This paper…
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Artikel Jurnal
Predictive modeling of thermochemical stability of hydrogen boride via reverse topological indices and curve fitting techniques
The present work explores the correlation between the values of the heat of formation (HOF) and topological indices of hydrogen boride (B2H6), which is a compound having an unique electron-deficient molecular structure. Topological indices play a significant role in mathematical chemistry by…
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Artikel Jurnal
Two novel Zn(II)/Cd(II) complexes incorporating 2-(4-fluoro-phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline: synthesis and structure
Two new Zn(II)/Cd(II) complexes, [Zn(L)(cba)]n (1) and [Cd(L)(Br)2]·H2O (2) (L = 2-(4-fluoro-phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, H2cba = 4-Carboxyphenoxyacetic acid), have been synthesized hydrothermally and their structures and properties were systematically analyzed and characterized…
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Artikel Jurnal
Leap Zagreb indices of certain chemical structures: a topological analysis
Topological indices serve as important molecular descriptors in quantitative structure–property relationship (QSPR) and quantitative structure–activity relationship (QSAR) studies. In this work, we present a comprehensive topological analysis of four molecular structures based on the leap versions…
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Artikel Jurnal
A new Arctan Uniform family of distributions: statistical properties and estimation with application to real data
The use of probability distributions in engineering, environmental, actuarial, and biomedical sciences cannot be under-estimated. In recent years, the trigonometric distributions have gained significant attention due to their flexibility in modeling skewed and heavy-tailed data. This study proposes…
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Artikel Jurnal
Indices analysis of hexa organic molecular structures together with fundamental insights of a novel connectivity index
Topological indices play a central role in mathematical chemistry for correlating structural features of molecular graphs with physicochemical properties. Motivated by limitations of existing degree and distance-based descriptors, we introduce a novel connectivity index that counts the d-neighbors…
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Artikel Jurnal
Two new Zn(II)/Co(II) coordination polymer constructed by same Bis-imidazole and different dicarboxylate as co-ligands: syntheses, crystal structure and photocatalytic activity
Two coordination polymers, {[Zn(1,3-BIP)(1,4-BDF)]·H2O}n (1), {[Co(1,3-BIP)(1,3-BDC)]·3H2O}n (2). (1,3-BIP is 1,3-bis(imidazole)propane, 1,3-BDC is 1,3-Benzenedicarboxylic acid and 1,4-BDF is 2,3,5,6-tetrafluoroterephthalic acid) were prepared under solvothermal conditions and characterized by IR…
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Artikel Jurnal
Syntheses and crystal structures of dialkyltin complexes of 3,5-dinitrosalicylic acid
Three dialkyltin 3,5-dinitrosalicylates, [3,5-(NO2)2-2-OC6H2COO]SnR2 [R = Me (1), Et (2), n-Bu (3)], have been synthesized by the reaction of dialkyltin dichloride with 3,5-dinitrosalicylic acid in the presence of sodium ethoxide and characterized by NMR spectroscopy and X-ray single crystal…
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Artikel Jurnal
Predictive modeling of physical properties in silane compounds using topological descriptors: A computational approach
Silane compounds are a class of chemical compounds composed of silicon (Si) and hydrogen (H), characterized by the general formula SiH4−xRx{{\rm{SiH}}}_{4-x}{R}_{x}, where RR represents various organic groups. The simplest member of this family is silane itself, with the chemical formula…
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Artikel Jurnal
Synthesis and structural characterization of a new cadmium coordination polymer: [Cd2(dpa)2(bbib)2]n·2nH2O
A brand-new coordination polymer [Cd2(dpa)2(bbib)2]n·2nH2O (1), (bbib =1,4-bis(1H-benzimidazolyl)butane, H2dpa = 2,2′-diphenit acid) has been successfully prepared under hydrothermal conditions. The structure of 1 belongs to a 2D network structure, which further stacks together to form a 3D…
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Artikel Jurnal
Sombor indices in main group metal chemistry: Computational evaluation of bismuth(iii) iodide, oxide/silicate frameworks, and dendrimers for QSAR applications
Topological indices (TIs), as numerical descriptors derived from molecular graphs, offer critical insights into structural properties of chemical compounds by quantifying atomic connectivity, independent of spatial configuration. These indices are pivotal in quantitative structure–activity…
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Artikel Jurnal
Effects of alkyl size of AlR3 on its reaction with thiophene-2-carbonyl chloride
Reactions of AlEt3, Al(n-Oct)3, and AlEt2(n-Oct) with thiophene-2-carbonyl chloride (TPCC) at Al/TPCC (molar ratio)
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Artikel Jurnal
Study on (r, s)-generalised transformation graphs, a novel perspective based on transformation graphs
For a graph Q=(V,E){\mathbb{Q}}=\left({\mathbb{V}},{\mathbb{E}}), the transformation graph are defined as graphs with vertex set being V(Q)∪E(Q){\mathbb{V}}\left({\mathbb{Q}})\cup {\mathbb{E}}\left({\mathbb{Q}}) and edge set is described following certain conditions. In comparison with the…
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New pyrazole-based Schiff base ligand and its Ni(ii) and Co(iii) complexes as antibacterial and anticancer agents: Synthesis, characterization, and molecular docking studies
New Schiff base of 5-amino-1,3-diphenyl-1H-pyrazole with 5-bromo salicylaldehyde and its cobalt and nickel complexes have been synthesized by condensation reaction. The synthesized compounds were characterized by numerous spectral (UV–vis, IR, 1H and 13C NMR, LC–MS) studies and docking studies. A…
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Artikel Jurnal
M-polynomial and NM-polynomial indices of camptothecin–polymer conjugate IT-101 structure
Camptothecin is a naturally occurring alkaloid known for its significant and selective inhibition of the topoisomerase nuclear enzyme, a critical target in cancer treatment. IT-101, a polymeric drug conjugate of camptothecin, exhibits potent antiglioma activity in vitro, making it a highly…
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Artikel Jurnal
Degree-based topological properties of borophene sheets
This study examines many innovative topological numbers and establishes mathematical interpretations for boron clusters and borophene coverings. The general Randic index, arithmetic index, and Albertson index are discussed in this work for the alpha sheets of boron clusters. Boron cluster sheets…
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