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X線結晶構造解析×クリスタル場理論×配位子場解析×立体化学解析×
分野化学化学化学化学
系統Process / pipelineProcess / pipelineProcess / pipelineProcess / pipeline
提唱年191219291960s1966
提唱者William Henry Bragg & William Lawrence BraggHans BetheBrian Norman FiggisCahn, Ingold, & Prelog
種類Structural determination techniqueTheoretical modelTheoretical modelNomenclature system
原典Bragg, W. H., & Bragg, W. L. (1913). The reflection of X-rays by crystals. Proceedings of the Royal Society of London, 88(605), 428–438. DOI ↗Bethe, H. (1929). Termaufspaltung in Kristallen. Annalen der Physik, 3(5), 133–208. DOI ↗Figgis, B. N. (1966). Introduction to Ligand Fields. Interscience Publishers. ISBN: 978-0471257356Cahn, R. S., Ingold, C., & Prelog, V. (1966). Specification of molecular chirality. Angewandte Chemie International Edition, 5(4), 385–415. DOI ↗
別名X-ray diffraction, crystallography, single-crystal X-rayCFT, crystal field, ligand field theoryligand field, LFT, ligand field theorystereochemical analysis, configuration assignment, chirality analysis
関連3333
概要X-ray crystallography is a technique that determines the three-dimensional atomic structure of crystals by analyzing the diffraction patterns produced when X-rays pass through them. Developed by William Henry Bragg and William Lawrence Bragg in 1912, X-ray crystallography has become the gold standard for structure determination in chemistry, biochemistry, and materials science, winning multiple Nobel Prizes for its profound impact.Crystal Field Theory (CFT) is a model that explains the electronic structure, color, magnetism, and reactivity of coordination complexes by considering how the electric field created by surrounding ligands perturbs the d-orbitals of a central metal ion. Developed by Hans Bethe in 1929 and refined throughout the 20th century, CFT is one of the most powerful tools for understanding inorganic chemistry.Ligand Field Theory (LFT) is an advanced model of metal-ligand bonding that combines crystal field theory with molecular orbital theory. Developed systematically by Brian Norman Figgis and others from the 1960s onward, LFT provides quantitative predictions of electronic structure, magnetism, spectra, and reactivity of coordination complexes, bridging the gap between qualitative crystal field arguments and rigorous quantum mechanics.Stereochemistry analysis is the systematic study of three-dimensional molecular structures, with emphasis on determining the spatial arrangement of atoms around chiral centers and assigning unambiguous names to stereoisomers. Formalized by Cahn, Ingold, and Prelog in 1966, the CIP (Cahn-Ingold-Prelog) rules provide an objective method for assigning R/S (or E/Z) nomenclature, enabling unambiguous communication of molecular structure.
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ScholarGate手法を比較: X-Ray Crystallography · Crystal Field Theory · Ligand Field Analysis · Stereochemistry Analysis. 2026-06-20に以下より取得 https://scholargate.app/ja/compare