Substituent Effect on Vibrationally Resolved Absorption Spectra and Exciton Dynamics of Dipyrrolonaphthyridinedion Aggregates [PDF]
, 2022 Dipyrrolonaphthyridinedion (DPND) thin films exhibit interesting photo-physical properties and singlet fission (SF) processes. A recent experimental work found that the alkyl substitution in DPND skeleton has the remarkable influence on the ...
Yi, Zhao, WanZhen, Liang, ShiShi, Feng
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Influence of the Solvent on the Stability of Aminopurine Tautomers and Properties of the Amino Group
Molecules, 2023 Amino derivatives of purine (2-, 6-, 8-, and N-NH2) have found many applications in biochemistry. This paper presents the results of a systematic computational study of the substituent and solvent effects in these systems.
Anna Jezuita +3 more
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Superelectrophiles and the Effects of Trifluoromethyl Substituents [PDF]
Journal of the American Chemical Society, 2010 Trifluoromethyl-substituted superelectrophiles were generated in superacid (CF(3)SO(3)H), and their chemistry was examined. The strong electron-withdrawing properties of the trifluoromethyl group are found to enhance the electrophilic character at cationic sites in superelectrophiles.
Matthew J, O'Connor +6 more
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, 2016 The enantioselectivity of prochiral enamide hydrogenation depends on the structure of the enamide, with particular sensitivity to the nature of the α-substituent. Recently, Burk has reported a spectacular example of structure sensitivity for [Rh(DuPHOS)]+
Steven Feldgus (2401402) +1 more
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Orbital: The Electronic Journal of Chemistry, 2020 The present work reports kinetic study of the reaction of benzofuroxan and its derivatives with 2-acetylthiophene. Hammett equation was used to determine the rate of the reaction and substituent effect.
Damra Elhaj Mustafa, Intisar Salih Ahmed
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Structure-acidity-IR spectra correlations for p-substituted N-phenylsulfonylbenzamides [PDF]
, 2004 The wavenumbers of the IR absorption bands of the C=O, S=O and N-H stretching vibrations for a series of p-substituted N-phenylsulfonylbenzamides were measured in trichloromethane.
Pařík, Patrik +5 more
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Substituted 2-Phenacylbenzoxazole Difluoroboranes: Synthesis, Structure and Properties
Molecules, 2020 Novel fluorescent dyes such as benzoxazole-boron complexes, bearing β-ketoiminate ligands, have been synthesized and characterized with a focus on the influence of a substituent on the basic photophysical properties.
Agnieszka Skotnicka, Przemysław Czeleń
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Substituent effect of Cp2TiCl2 catalyst for ethylene polymerization: A DFT study [PDF]
Polyolefins Journal, 2023 The substituents on cyclopentadienyl (Cp) can regulate the electronic effect and hindrance of the active center in the metallocene catalyst. This modification can greatly change the catalytic activity of the catalyst and affect some features of the ...
Kefeng Xie +5 more
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Computational analysis of substituent effect on emission wavelengths and chemical reaction rates [PDF]
, 2021 Substituent groups are widely used to take advantage of their electronic and steric proper- ties. For example, substituents with an electron-donating or electron-withdrawing nature have been utilized to design new materials with effective photophysical ...
Satalkar, Vardhan
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Rate and equilibrium constants for the addition of N-heterocyclic carbenes into benzaldehydes : a remarkable 2-substituent effect [PDF]
, 2015 We thank the Royal Society for a University Research Fellowship (ADS), the EPSRC (CJC and RM) grant number EP/G013268/1 and the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013) ERC grant agreement no 279850
Collett, Christopher John +17 more
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