2017
DOI: 10.1007/s00214-017-2146-3
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About Lewis’s heritage: chemical interpretations and quantum chemistry

Abstract: complementary because each of them partially addresses the question. However, other answers can be given. For instance, one can object that bottles being made to store liquid food (wine, beer), coloured glass is chosen mostly because it prevents sunlight to downgrade the antioxidants and therefore increases the storage life. 1 The answer given by the chemist explicitly invokes the chemical composition of the glass used to make bottles and for this reason it should be referred to as a chemical explanation. Chem… Show more

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Cited by 7 publications
(4 citation statements)
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“…The three‐centre interaction is also identified in an ELF (electron localization function) analysis (Figure ), in which a trisynaptic basin at the centre of the GeFeFe triangular plane, albeit with relatively low electronic occupancy, is found along with disynaptic basins for both the Ge−Fe and Fe−Fe regions. The Fe−Fe bond exchange between pairs of Fe atoms is accompanied by the Fe−Fe bond elongating from 2.77 Å in 3 to 3.64 Å in the transition state (Figure ), with a computed free energy barrier of Δ G 298 =28.4 kcal mol −1 at the TPSSh/Def2‐TZVPP/SCRF=THF level, a value much higher than expected for a room temperature dynamic exchange process.…”
Section: Methodsmentioning
confidence: 82%
“…The three‐centre interaction is also identified in an ELF (electron localization function) analysis (Figure ), in which a trisynaptic basin at the centre of the GeFeFe triangular plane, albeit with relatively low electronic occupancy, is found along with disynaptic basins for both the Ge−Fe and Fe−Fe regions. The Fe−Fe bond exchange between pairs of Fe atoms is accompanied by the Fe−Fe bond elongating from 2.77 Å in 3 to 3.64 Å in the transition state (Figure ), with a computed free energy barrier of Δ G 298 =28.4 kcal mol −1 at the TPSSh/Def2‐TZVPP/SCRF=THF level, a value much higher than expected for a room temperature dynamic exchange process.…”
Section: Methodsmentioning
confidence: 82%
“…In 1916 Lewis 5 proposed that a chemical bond could be interpreted as an electron pair shared by two atoms, an idea that has since profoundly ingrained itself in the minds of chemists. [6][7][8] Fifteen years later, Pauling 9 translated Lewis sharing idea into the emerging quantum mechanics language, building on Heitler and London's work. 10 Bader and Henneker 11 used the electric field to explore a completely different interaction -the ionic bond.…”
Section: Introductionmentioning
confidence: 99%
“…In 1916 Lewis 5 proposed that a chemical bond could be interpreted as an electron pair shared by two atoms, an idea that has since profoundly ingrained itself in the minds of chemists. [6][7][8] Fifteen years later, Pauling 9 translated Lewis sharing idea into the emerging quantum mechanics language, building on Heitler and London's work. 10 Bader and Henneker 11 used the electric field to explore a completely different interaction -the ionic bond.…”
Section: Introductionmentioning
confidence: 99%