Results 261 to 270 of about 9,469,736 (295)

Substituent effects on aromatic stacking interactions

Organic & Biomolecular Chemistry, 2007
Synthetic supramolecular zipper complexes have been used to quantify substituent effects on the free energies of aromatic stacking interactions. The conformational properties of the complexes have been characterised using NMR spectroscopy in CDCl(3), and by comparison with the solid state structures of model compounds.
COCKROFT SL, PERKINS J, ZONTA, CRISTIANO, ADAMS H, SPEY SE, LOW CMR, VINTER JG, LAWSON KR, URCH CJ, HUNTER CA   +9 more
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Manifestation of substituent effects in the Auger parameter

Physical Review B, 1988
The Auger parameter is composed of contributions from both Auger and photoelectron energies; it is held to be a function of only extra-atomic relaxation (i.e., ligand polarization). Its correlation with the Hammett-Taft inductive substituent constant demonstrates this to be true.
, Sacher, , Brener
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Substituent effect on electronic structures of halonitrobenzenes

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2008
The electronic structures and substituent effects of o-, m-, and p-chloronitrobenzene and bromonitrobenzene have been studied by ultraviolet photoelectron spectroscopy (UPS). It was found that the o-isomer possesses particular electronic properties. This characteristic depends on the conjugation between the benzene ring pi orbital and the nitro group ...
Maofa, Ge, Li, Yao
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Substituent effects in π-(tricarbonylchromium)arenes

Journal of Organometallic Chemistry, 1976
Abstract the IR wavenumbers and half-band width's of the carbonyl stretching vibrations of several substituted 7r-(tricarbonylchromium)benzenes in isooctane solution are reported. only small perturbations of C3,.symmetry are observed. the shape of the out-of-phase band is influenced by electronic effects, conformer distribution and solute-solvent ...
F van Meurs, J.M van der Toorn, H van Bekkum   +2 more
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Substituent effects on the electronic structure of siloles

Chemical Communications, 2009
Siloles are attractive building blocks for the design and synthesis of organic semiconductors that exhibit potential applications in light-emitting diodes, solar cells, field-effect transistors, and sensors. Understanding how molecular engineering of the electronic structures can help control the properties of these materials has attracted significant ...
Xiaowei, Zhan, Stephen, Barlow, Seth R, Marder   +2 more
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Substituent effects on cooperativity of pnicogen bonds

Journal of Molecular Modeling, 2014
Substituent effects on cooperativity of P···N pnicogen bonds are studied in XH2P···NCH(2)P···NCY (X=F, Cl; Y=H, F, CN, OH, NH(2)) complexes using high-level ab initio calculations. An increased attraction or a positive cooperativity is observed on introduction of a third molecule to the XH(2)P···NCH(2)P and NCH(2)P···NCY dyads.
Mehdi D, Esrafili, Mojhgan, Ghanbari, Fariba, Mohammadian-Sabet   +2 more
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Substituent effects in anthrasemiquinones

Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 1988
Electron spin resonance spectra have been obtained from series of 2-substituted anthrasemiquinones and of 3-substituted 1,8-dihydroxyanthra-semiquinones. The proton splittings are consistently assigned by means of linear correlation plots between splitting constants and a substituent-dependent parameter.
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Reaction kinetics of polymer substituents. Neighbouring-substituent effects in single-substituent reactions

Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 1972
The kinetic behaviour is predicted for a hypothetical polymer reaction in which the reactivity of a substituent (or other reacting entity) depends on whether zero, one or two of its neighbours have already reacted. The problem is not new, but the method of analysis used here gives solutions applicable to reactions of polymer molecules containing a ...
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Substituent effects. X. Improved treatment (FMMF) of substituent effects

Journal of the American Chemical Society, 1971
Michael J. S. Dewar, Ronald Golden, J. Milton Harris   +2 more
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Substituent effects. XII. Substituent effects by fluorine-19 NMR

Journal of the American Chemical Society, 1975
W. Adcock, M. J. S. Dewar, R. Golden, M. A. Zeb   +3 more
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