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Fluxional molecule information


In chemistry and molecular physics, fluxional (or non-rigid) molecules are molecules that undergo dynamics such that some or all of their atoms interchange between symmetry-equivalent positions.[1] Because virtually all molecules are fluxional in some respects, e.g. bond rotations in most organic compounds, the term fluxional depends on the context and the method used to assess the dynamics. Often, a molecule is considered fluxional if its spectroscopic signature exhibits line-broadening (beyond that dictated by the Heisenberg uncertainty principle) due to chemical exchange.[2] In some cases, where the rates are slow, fluxionality is not detected spectroscopically, but by isotopic labeling and other methods.[3]

  1. ^ "Fluxional". IUPAC Gold Book. 2014. doi:10.1351/goldbook.F02463.
  2. ^ Drago, Russell S. (1977). Physical Methods in Chemistry (2nd ed.). Philadelphia: W. B. Saunders. ISBN 0-7216-3184-3.
  3. ^ J. Sandström (1982). Dynamic NMR Spectroscopy. Academic Press.

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Fluxional molecule

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In chemistry and molecular physics, fluxional (or non-rigid) molecules are molecules that undergo dynamics such that some or all of their atoms interchange...

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Bullvalene

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organic molecule due to the C−C and C=C bonds forming and breaking rapidly on the NMR timescale; this property makes it a fluxional molecule. The bullvalene...

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Tautomer

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either tautomer is InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7). Fluxional molecule "tautomer". Oxford Dictionaries - English. Archived from the original...

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Dimethylformamide

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ketone would absorb near 1700 cm−1. DMF is a classic example of a fluxional molecule. The ambient temperature 1H NMR spectrum shows two methyl signals...

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Xenon hexafluoride

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calculations indicate that the compound's point group is C3v. It is a fluxional molecule. Oh is only insignificantly higher, indicating that the minimum on...

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Berry mechanism

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kcal/mol. Pseudorotation Bailar twist Bartell mechanism Ray–Dutt twist Fluxional molecule "Pseudorotation". The IUPAC Compendium of Chemical Terminology. 2014...

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Antiknock agent

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bound. The Fe-C-O linkages are each linear. Fe(CO)5 is the archetypal fluxional molecule due to the rapid interchange of the axial and equatorial CO groups...

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Methanium

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[CH3(H2)]+ (fluxional form, namely a molecule with one carbon atom covalently bonded to three hydrogen atoms and one dihydrogen molecule), bearing a +1...

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Pseudorotation

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well.[citation needed] Bailar twist Ray–Dutt twist Bartell mechanism Fluxional molecule "Pseudorotation". The IUPAC Compendium of Chemical Terminology. 2014...

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Symmetry number

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doi:10.1351/goldbook.S06214 Symmetry Numbers for Rigid, Flexible and Fluxional Molecules: Theory and Applications. M.K. Gilson and K. K. Irikura. J. Phys...

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William von Eggers Doering

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Parikh-Doering oxidation, prediction of the existence of bullvalene as a fluxional molecule, and elucidation of the mechanism of the Baeyer–Villiger oxidation...

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Bailar twist

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Pseudorotation Bartell mechanism Berry mechanism Ray–Dutt twist Fluxional molecule "Bailar Twist" in Encyclopedia of Inorganic Chemistry, John Wiley...

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Phosphorus halide

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notable as a mild Lewis acid and a fluoride ion acceptor. It is a fluxional molecule in which the axial (ax) and equatorial (eq) fluorine atoms interchange...

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Hapticity

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4-cyclopentadien-1-yl)titanium. Molecules with polyhapto ligands are often fluxional, also known as stereochemically non-rigid. Two classes of fluxionality are prevalent...

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Molecular symmetry

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such groups can be used to classify the states of non-rigid (or fluxional) molecules that tunnel between equivalent geometries (called versions) and to...

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Carbonium ion

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petroleum during primary thermal cracking (Haag-Dessau mechanism). Fluxional molecules More carbonium ions called non-classical ions are found in certain...

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Bartell mechanism

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[1] Archived 2019-10-19 at the Wayback Machine, accessed 28 May 2014 Pseudorotation Bailar twist Berry mechanism Ray–Dutt twist Fluxional molecule v t e...

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Seesaw molecular geometry

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February 2006). "Mechanisms that Interchange Axial and Equatorial Atoms in Fluxional processes: Illustration of the Berry Pseudorotation, the Turnstile and...

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Pyramidal inversion

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pyramidal inversion (also umbrella inversion) is a fluxional process in compounds with a pyramidal molecule, such as ammonia (NH3) "turns inside out". It is...

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Cyclopentadiene

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allow alkylated derivatives to be manipulated selectively. Even more fluxional are the derivatives C5H5E(CH3)3 (E = Si, Ge, Sn), wherein the heavier...

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Van der Waals strain

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ISBN 0-205-05838-8 Rzepa, Henry S.; Cass, M.E.; Hii, K.K. "Mechanisms that Interchange Axial and Equatorial Atoms in Fluxional processes". Retrieved 2008-03-27. v t e...

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Trimethylsilyl cyclopentadiene

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and has attracted interest for its fluxional structure. Trimethylsilyl cyclopentadiene is an example of a molecule that undergoes rapid sigmatropic rearrangement...

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Cope rearrangement

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yields hepta-1,5-diene. The Cope rearrangement causes the fluxional states of the molecules in the bullvalene family. The Cope rearrangement is the prototypical...

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