Constantes de couplage de vinylallènes

Lefèvre, F.; Martin, Maryvonne L.; Bail, H. Le; Odiot, S.

doi:10.1002/mrc.1270070705

Cited by 7 publications

(1 citation statement)

References 19 publications

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“…The experimental coupling constants are partly from the literature [2][3][4][5][6][7][8][9][10] and partly from this series of contributions [1,11].…”

Section: Ht \ R/ Xmentioning

confidence: 99%

The Molecular Structure of Allenes and Ketenes, XII [1] Four-Bond Proton-Proton Spin-Spin Couplings in Allenes

Runge¹

1978

Zeitschrift Für Naturforschung B

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Abstract Four-bond proton-proton coupling constants in allenes are reported. The substituent effects on the coupling constants are discussed on the basis of the dual-substituent parameter approach. Furthermore, the coupling constants are related to quantum-chemical indices (electron densities, overlap populations) obtained from semiempirical CNDO/S and ab initio STO-3G calculations.The magnitudes of the coupling constants depend upon the polar natures of the substituents as well as upon their charge-transfer abilities (resonance effects) to a com-parable amount.In general, the coupling constants in 1,3-disubstituted allenes are nonadditive in ligand -specific parameters.

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“…The experimental coupling constants are partly from the literature [2][3][4][5][6][7][8][9][10] and partly from this series of contributions [1,11].…”

Section: Ht \ R/ Xmentioning

confidence: 99%

The Molecular Structure of Allenes and Ketenes, XII [1] Four-Bond Proton-Proton Spin-Spin Couplings in Allenes

Runge¹

1978

Zeitschrift Für Naturforschung B

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The Molecular Structure of Allenes and Ketenes VII [1] ¹³CH Nuclear Spin‐Spin Couplings in Monosubstituted Allenes

Runge¹,

Kosbahn²

1976

Ber Bunsenges Phys Chem

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The Molecular Structure of Allenes and Ketenes, IX [1] π and σ Interactions in Allenes: Photoelectron Spectra, Electronic Absorption Spectra, and Quantum‐Chemical Calculations

Kröner¹,

Kosbahn²,

Runge³

1977

Ber Bunsenges Phys Chem

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The electronic structure of monosubstituted allenes has been investigated by means of photoelectron and UV absorption spectroscopy.—The assignment of the photoelectron and UV absorption bands is achieved on the basis of a “composite molecule” (LCMO) model and substantiated by comparisons with structurally related molecules.—Assuming the validity of Koopmans' approximation for the interpretation of photoelectron spectra the π electronic structure of allenes can be rationalized quantitatively in terms of a three‐parameter model of substituent effects which involves short‐range and long‐range inductive effects and resonance effects.—The substituent effect on the highest‐occupied σ orbital of allenes is shown to be essentially an electrostatic (long‐range) field effect. The interpretation of low‐energy 1A” excited states of allenes is achieved via a correlation of UV spectroscopic and photoelectron spectroscopic data.—The interpretation of experimental results is corroborated and refined by semiempirical (CNDO/S) and ab initio (STO‐3G and STO‐4.31G) calculations.—In general, there are analogies of the molecular properties of allenes with those of ethylenes and benzenederivatives and with those of carbonylcompounds and acetylenes.

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Constantes de couplage de vinylallènes

Cited by 7 publications

References 19 publications

The Molecular Structure of Allenes and Ketenes, XII [1] Four-Bond Proton-Proton Spin-Spin Couplings in Allenes

The Molecular Structure of Allenes and Ketenes, XII [1] Four-Bond Proton-Proton Spin-Spin Couplings in Allenes

The Molecular Structure of Allenes and Ketenes VII [1] ¹³CH Nuclear Spin‐Spin Couplings in Monosubstituted Allenes

The Molecular Structure of Allenes and Ketenes, IX [1] π and σ Interactions in Allenes: Photoelectron Spectra, Electronic Absorption Spectra, and Quantum‐Chemical Calculations

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Constantes de couplage de vinylallènes

Cited by 7 publications

References 19 publications

The Molecular Structure of Allenes and Ketenes, XII [1] Four-Bond Proton-Proton Spin-Spin Couplings in Allenes

The Molecular Structure of Allenes and Ketenes, XII [1] Four-Bond Proton-Proton Spin-Spin Couplings in Allenes

The Molecular Structure of Allenes and Ketenes VII [1] 13CH Nuclear Spin‐Spin Couplings in Monosubstituted Allenes

The Molecular Structure of Allenes and Ketenes, IX [1] π and σ Interactions in Allenes: Photoelectron Spectra, Electronic Absorption Spectra, and Quantum‐Chemical Calculations

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The Molecular Structure of Allenes and Ketenes VII [1] ¹³CH Nuclear Spin‐Spin Couplings in Monosubstituted Allenes