Substituent Effect versus Aromaticity─A Curious Case of Fulvene Derivatives. [PDF]
J Org Chem, 2023 A computational study on amino- and nitro-substituted penta- and heptafulvenes reveals the interplay between the aromaticity and the substituent effect (SE).
Wieczorkiewicz PA +3 more
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Substituent Effect in the Cation Radicals of Monosubstituted Benzenes. [PDF]
Int J Mol Sci, 2021 In 30 monosubstituted benzene cation radicals, studied at the ωB97XD/aug-cc-pVTZ level, the phenyl rings usually adopt a compressed form, but a differently compressed form—equivalent to an elongated one—may coexist.
Dobrowolski JC +3 more
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New description of the substituent effect on electronic spectra by means of substituent constants
Journal of Molecular Structure: THEOCHEM, 1991 著者らは近年,電子スペクトルに対する置換基効果を置換基定数で記述する新しい方法を研究してきた。電子スペクトルで測定される一重項あるいは三重項遷移エネルギー(1.3Euv)は, Swain らの FR 置換基定数あるいは湯川らの置換基定数 (σi ,σπ+,σπ-)を用いて, 1.3EUV=aF+bR+C, 1,3EUV=ασi+βσπ++γσπ-+Cと記述された。そして,これらは共役系の n-π* 吸収帯を初め,共役系および脂肪族系の n-π* 吸収帯,分子内電荷移動吸収帯,分子化合物の分子間電荷移動吸収帯およびそれら錯体形成による成分化合物自身の吸収帯などに対する置換基効果に適用できる一般式であることを明らかにした。さらに,ベンゼン置換体の吸収帯を用いて,これらの式の適用限界を議論した ...
Bunji UNO, Tanekazu KUBOTA
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Regioselectivity of the Claisen Rearrangement of Meta- and Para-Substituted Allyl Aryl Ethers
ReactionsThe regioselectivity of the Claisen rearrangement with different meta-substituted and meta- and para-substituted allyl phenyl ethers was investigated.
William Thomas Möller +3 more
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Dual-Emissive Monoruthenium Complexes of N(CH3)-Bridged Ligand: Synthesis, Characterization, and Substituent Effect. [PDF]
Materials (Basel), 2023 Wu SH +7 more
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AggregateWhereas aggregation‐induced emission (AIE) is a useful tool to develop photofunctional host systems, its guest usability has been largely unexplored within well‐defined host compounds so far, mainly owing to the absence of suitable cavities.
Ryuki Kitaura +5 more
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Substituent effects on the photophysics of the kaede chromophore [PDF]
Physical Chemistry Chemical PhysicsUltrafast time resolved spectroscopy probes substituent dependent photophysics of the kaede fluorescent protein chromophore.
Anam Fatima +5 more
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Synthesis, properties and colour assessment of some new 5-(3- and 4-substituted phenylazo)-4,6-dimethyl-3-cyano-2-pyridones [PDF]
Journal of the Serbian Chemical Society, 2006 A series of 5-(3- and 4-substituted phenylazo)-4,6-dimethyl-3-cyano-2-pyridones were synthesized, starting from acetylacetone and arenediazonium salt, followed by condensation with cyanoacetamide using a modified literature procedure.
DUSAN MIJIN +5 more
doaj
Chemistry Central Journal, 2012 Background A series of some novel arylazo pyridone dyes was synthesized from the corresponding diazonium salt and 6-hydroxy-4-phenyl-3-cyano-2-pyridone using a classical reaction for the synthesis of the azo compounds.
Alimmari Adel +7 more
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Comparison of Various Theoretical Measures of Aromaticity within Monosubstituted Benzene
MoleculesThe effects of monosubstitution on the aromaticity of benzene are assessed using a number of different quantitative schemes. The ability of the mobile π-electrons to respond to an external magnetic field is evaluated using several variants of the NICS ...
Caleb K. Swain, Steve Scheiner
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