Multi-State VALBOND for Atomistic Simulations of Hypervalent Molecules, Metal Complexes and Reactions [PDF]
Journal of Chemical Theory and Computation, 2018 The implementation, validation, and application of the multi-state VALBOND method for transition-metal-containing and hypervalent molecules are presented. This approach is particularly suited for molecules with unusual shapes and systems that need to be described by a superposition of resonance structures, each of which satisfies the octet rule.
Maurus Schmid +3 more
semanticscholar +6 more sources
Molecules, 2022 Quinones and quinols are secondary metabolites of higher plants that are associated with many biological activities. The oxidative dearomatization of phenols induced by hypervalent iodine(III) reagents has proven to be a very useful synthetic approach ...
Nina Scheiber +5 more
doaj +2 more sources
Organic synthesis via hypervalent, hypercoordinate molecules.
Journal of Synthetic Organic Chemistry, Japan, 1990 This review describes synthetic applications of “hypervalent”, “hypercoordinate” molecules of the Group 14 Group 17 elements, in which there is an expansion of the valence octet of the central atom. Reactions of penta- and hexa-coordinate silicon compounds are categorized into five types, and examples are presented to demonstrate (1) the activation of ...
Kohei Tamao
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Are diazomethanes hypervalent molecules? Probably, but in an unexpected way!
, 2017 A recently published review on hypervalency introduced a very simple way of quantifying the effect. One of the molecules which was suggested to be hypervalent using this method was diazomethane. Here I take a closer look.
Henry S. Rzepa
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Stimuli‐Responsive Optical Materials Based on Hypervalent Antimony‐Containing Conjugated Molecules [PDF]
Stimuli-Responsive Optical Materials Based on Hypervalent Antimony-Containing Conjugated MoleculesStimuli-responsive materials have been applied for sensor devices because they can transform and amplify various target stimuli into observable signals. Much effort has been devoted to exploring effective molecular designs for obtaining stimuli-responsive behaviors by taking advantage of the unique optoelectronic properties of π-conjugated molecules ...
Kazuya Tanimura +3 more
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High-Potential Hypervalent Antimony(V) Porphyrin-C<sub>60</sub> Conjugates: Excitation Energy Transfer Dominates over Reductive Electron Transfer. [PDF]
Inorg ChemHigh-potential hypervalent antimony(V) porphyrins have been covalently linked to the well-known electron acceptor C60 molecule, resulting in the formation of antimony(V) porphyrin-fullerene conjugates: SbP–C60 and SbPF3–C60.
Zarrabi N +6 more
europepmc +2 more sources
, 2017 Recollect the suggestion that diazomethane has hypervalent character. When I looked into this, I came to the conclusion that it probably was mildly hypervalent, but on carbon and not nitrogen. Here I try some variations with substituents to see what light if any this casts.
Henry S. Rzepa
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Interactions of hypervalent IF<sub>5</sub> and XeF<sub>4</sub>O molecules <i>via</i> σ-hole site with Lewis bases and anions: a comparative <i>ab initio</i> study. [PDF]
RSC AdvIbrahim MAA +5 more
europepmc +3 more sources
Structural analysis of organometallic deprotonation agents and computational studies on formally hypervalent molecules [PDF]
, 2010 Sebastian Merkel
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