Symmetry rules for chemical reactions
TLDR
The symmetry properties of molecular orbitals and of reaction coordinates can be used to decide on the feasibility of selected chemical reaction mechanisms as discussed by the authors, where reaction paths are shown to have a large energy barrier and are said to be "forbidden by orbital symmetry".Abstract:
The symmetry properties of molecular orbitals and of reaction coordinates can be used to decide on the feasibility of selected chemical reaction mechanisms. Some reaction paths are shown to have a large energy barrier and are said to be “forbidden by orbital symmetry.” The reactions of molecules with no symmetry can also be analyzed by being compared to related symmetric molecules, where the molecular orbitals are topological identical.read more
Citations
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Kinetics of pyrite formation by the H2S oxidation of iron (II) monosulfide in aqueous solutions between 25 and 125°C: The rate equation
David Rickard,George W. Luther +1 more
TL;DR: In this paper, a transport-controlled reaction of Fe(II) monosulfide by H2S in aqueous solutions between 25 and 125°C was investigated and the mean Arrhenius energy was 33.7 kJ mol−1.
Journal ArticleDOI
Framboidal pyrite formation via the oxidation of iron (II) monosulfide by hydrogen sulphide
Ian B. Butler,David Rickard +1 more
TL;DR: In this article, it was shown that framboidal texture results from rapid nucleation in environments where pyrite is strongly supersaturated, where the reaction may proceed by dissolution of solid FeS and subsequent reaction of an aqueous FeS cluster complex with H2S.
Framboidal Pyrite Formation by the Oxidation of Iron(II) Monosulfide by Hydrogen Sulfide
I. B. Butler,D. Rickard +1 more
TL;DR: The ubiquity of framboidal pyrite occurrences in modern and ancient sedimentary environments and in low to medium temperature ore deposits suggests a robust formation mechanism able to operate under a range of physico-chemical conditions as discussed by the authors.
Journal ArticleDOI
Acid mine drainage biogeochemistry at Iron Mountain, California
Gregory K. Druschel,Gregory K. Druschel,Brett J. Baker,Thomas M. Gihring,Thomas M. Gihring,Jillian F. Banfield +5 more
TL;DR: Experiments show that elemental sulfur which forms on pyrite surfaces is resistant to most oxidants; its solublization by unattached cells may indicate involvement of a microbially derived electron shuttle.
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Manganese(II) Oxidation and Mn(IV) Reduction in the Environment—Two One-Electron Transfer Steps Versus a Single Two-Electron Step
TL;DR: The chemistry of electron transfer processes using a knowledge of orbital properties and available experimental data is reviewed in this article, where an outer-sphere electron transfer process is shown symmetry forbidden for Mn(H2O)6 2+ based on analysis of the frontier molecular orbitals of the reactants.
References
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Journal ArticleDOI
Stability of Polyatomic Molecules in Degenerate Electronic States. I. Orbital Degeneracy
H. A. Jahn,Edward Teller +1 more
TL;DR: In this paper, it was shown that if the total electronic state of orbital and spin motion is degenerate, then a non-linear configuration of the molecule will be unstable unless the degeneracy is the special twofold one (discussed by Kramers 1930) which can occur only when the molecule contains an odd number of electrons.
Book
Chemical applications of group theory
TL;DR: In this article, the authors define and define the definitions and theorems of group theory and symmetry groups, and present a mathematical model of symmetry groups for Inorganic and Organometallic Compounds.
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Vibrationally induced perturbations in molecular electron distributions
TL;DR: In this article, second-order perturbation theory is used to determine the manner in which the electron density present in a molecule is changed during a nuclear vibration, which is useful in determining the manner of electron density change.