Journal ArticleDOI
Transmission of substituent effects through extended systems—I. p-Substituted cinnamonitriles
G. Butt,R. D. Topsom +1 more
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TLDR
In this article, a series of p -substituted cinnamonitriles were used to estimate the resonance effects of the benzene, ethylene and cyanide vibrations, and the relative importance of various mechanisms of transmission of electronic effects was discussed.About:
This article is published in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.The article was published on 1980-01-01. It has received 19 citations till now. The article focuses on the topics: Chemical shift.read more
Citations
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Synthetic studies related to diketopyrrolopyrrole (DPP) pigments. Part 1: The search for alkenyl-DPPs. Unsaturated nitriles in standard DPP syntheses: a novel cyclopenta[c]pyrrolone chromophore
Colin Morton,Ryan Gilmour,David M. Smith,Philip Lightfoot,Alexandra M. Z. Slawin,Elizabeth J. MacLean +5 more
TL;DR: The reaction with cyclohexenyl-3-enecarbonitrile with the Diels-Alder adducts of acrylonitrile and various dienes rarely yields the expected DPP derivatives as discussed by the authors.
Journal ArticleDOI
Correlation of carbon‐13 substituent‐induced chemical shifts revisited: Meta‐ and para‐substituted benzonitriles
Otto Exner,Miloš Buděšínský +1 more
TL;DR: In this article, the substituent-induced chemical shifts (SCS) of the CN carbon correlate well with dual substituents parameters (DSP) in the para series but poorly in the meta series, whichever parameters are used.
Journal ArticleDOI
Correlation of oxygen-17 substituent-induced chemical shifts: meta- and para-substituted methyl benzoates
Otto Exner,Hans Dahn,Peter Péchy +2 more
TL;DR: In this paper, the substituent-induced chemical shifts (SCS) of the CO carbon correlate poorly with dual substituents parameters (DSP) in all possible modifications, and for meta derivatives in particular this correlation is both overpara meterized and imprecise.
References
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Journal ArticleDOI
Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals
TL;DR: In this article, a least square representation of Slater-type atomic orbitals as a sum of Gaussian-type orbitals is presented, where common Gaussian exponents are shared between Slater−type 2s and 2p functions.
Journal ArticleDOI
Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments.
John A. Pople,Mark S. Gordon +1 more
TL;DR: A recent approximate self-consistent molecular orbital theory (complete neglect of differential overlap or CNDO) is used to calculate charge distributions and electronic dipole moments of a series of simple organic molecules, suggesting that charge alternation may be an intrinsic property of all induction and mesomeric electronic displacements.
Journal ArticleDOI
Infrared intensities: a guide to intramolecular interactions in conjugated systems
A. R. Katritzky,R. D. Topsom +1 more
Journal ArticleDOI
Substituent effects on the carbon-13 N.M.R. chemical shifts of side-chain carbons in aromatic systems
TL;DR: In this article, the side-chain carbon atoms of a number of meta-and para-disubstituted benzenes were measured for carbon-13 chemical shifts.
Related Papers (5)
Transmission of substituent effects through extended systems—II. Substituted cis and trans cinnamonitriles
G. Butt,R. D. Topsom +1 more