Results 11 to 20 of about 57,191 (159)

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, Wei Hao, Shengyuan Xu, Jie Wang, Xiong Wang, Zhengang Han   +5 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, Kenneth N, Boblak, Michael J, Topinka, Patrick J, Kindelin, Jason M, Briski, Chong, Zheng, Douglas A, Klumpp   +6 more
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Substituent effects on aromatic interactions in water

Chemical Science, 2023
Measurements using chemical double mutant cycles show that electron-withdrawing groups lead to remarkable increases in the stability of aromatic interactions, and the magnitude of the effect is much larger in water than in chloroform solution.
Tobajas-Curiel, Gloria, Sun, Qingqing, Sanders, Jeremy K. M., Ballester, Pablo, resid: B-6436-2011, Hunter, Christopher A.   +5 more
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Crystal structure of 7,15-bis(4-tert-butylphenyl)-1,9-dimethylheptazethrene

Acta Crystallographica Section E: Crystallographic Communications, 2017
The title compound, C50H44, 1, was synthesized as a derivative of heptazethrene bearing two methyl and two tert-butylphenyl substituents, respectively, at the 1,9- and 7,15-positions.
Sho Kamata, Sota Sato, Jishan Wu, Hiroyuki Isobe   +3 more
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The Study of Substituent Effect on Osmabenzene Complexes [PDF]

International Journal of New Chemistry, 2014
The electronic structure and properties of the osmaabenzenes and para substituted osmabenzenes have been explored using the hybrid density functional mpw1pw91 theory. Systematic studies on the substituent effect in para substituted osmabenzenes complexes
Reza Ghiasi, Roya Ahmadi
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Dual Substituent Parameter Modeling of Theoretical, NMR and IR Spectral Data of 5-Substituted Indole-2,3-diones

Molecules, 2002
Correlations of AM1 and PM3 theoretical data, 13C-NMR substituent chemical shifts (13C-SCS) and IR carbonyl group wave numbers [ν(C3═O)] were studied using dual substituent parameter (DSP) models for 5-substituted indole-2,3-diones.
Zora Å usteková, Katri Laihia, Walter M.F. Fabian, Erkki Kolehmainen, Mária Å amalíková, Alexander Perjéssy, Hanan A. Radhy, Ghazwan F. Fadhil   +7 more
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Suppression of Charge Recombination by Auxiliary Atoms in Photoinduced Charge Separation Dynamics with Mn Oxides: A Theoretical Study

Molecules, 2022
Charge separation is one of the most crucial processes in photochemical dynamics of energy conversion, widely observed ranging from water splitting in photosystem II (PSII) of plants to photoinduced oxidation reduction processes. Several basic principles,
Yu Ohnishi, Kentaro Yamamoto, Kazuo Takatsuka   +2 more
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Effects of substituents on the electronic absorption spectra of 3-N-(4-substituted phenyl)-5-carboxy uracils in different solvents. Part II. [PDF]

Journal of the Serbian Chemical Society, 2000
Absorption spectra of some 3-N-(4-substituted phenyl)-5-carboxy uracils, previously determined in twelve solvents, are correlated with substituent sp+ values or by dual substituent parameter correlations involving sl and sR+ values.
M. RADOJKOVIC-VELICKOVIC, G. USCUMLIC, N. VALENTIC   +2 more
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Study of Substituent Effect on Properties of Platinum(II) Porphyrin Semiconductor Using Density Functional Theory

Indonesian Journal of Chemistry, 2018
Study of substituent effect on properties of platinum(II) porphyrin had been performed using DFT method. The aim of the study is to investigate the effect of substituent group on the electronic and optical properties of the platinum(II) porphyrin ...
Harno Dwi Pranowo, Fadjar Mulya, Hafiz Aji Aziz, Grisani Ambar Santoso   +3 more
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