Ferrocenoyl-adenines: substituent effects on regioselective acylation [PDF]
A series of N6-substituted adenine–ferrocene conjugates was prepared and the reaction mechanism underlying the synthesis was explored. The SN2-like reaction between ferrocenoyl chloride and adenine anions is a regioselective process in which the product ...
Mateja Toma +5 more
doaj +2 more sources
Quantifying Through‐Space Substituent Effects [PDF]
AbstractThe description of substituents as electron donating or withdrawing leads to a perceived dominance of through‐bond influences. The situation is compounded by the challenge of separating through‐bond and through‐space contributions. Here, we probe the experimental significance of through‐space substituent effects in molecular interactions and ...
Scott L Cockroft +2 more
exaly +5 more sources
Substituent effects in N-acetylated phenylazopyrazole photoswitches [PDF]
Phenylazopyrazole photoswitches proved to be valuable structural motifs for various applications ranging from materials science to medicine. Despite their potential, their structural diversity is still limited and a larger pool of substitution patterns ...
Radek Tovtik +4 more
doaj +2 more sources
Substituent Effects in Tetrel Bonds Involving Aromatic Silane Derivatives: An ab initio Study [PDF]
In this manuscript substituent effects in several silicon tetrel bonding (TtB) complexes were investigated at the RI-MP2/def2-TZVP level of theory. Particularly, we have analysed how the interaction energy is influenced by the electronic nature of the ...
Sergi Burguera +2 more
doaj +2 more sources
Substituent Effects on the Ultraviolet Absorption Properties of 2,4-Dihydroxy Dibenzophenone [PDF]
Substituent effects on the ultraviolet absorption properties of 2,4-dihydroxy dibenzophenone were investigated experimentally. Nine compounds of 2,4-dihydroxy dibenzophenone with different substituents were prepared by a solvent-free reaction of benzoyl ...
Feng Wu +7 more
doaj +2 more sources
The Nonadiabatic Nature of the Substituent Effects in Azobenzene. [PDF]
ABSTRACT The mechanism of thermal Z → E isomerization in azobenzenes has been debated for nearly a century, with inversion, rotation, and nonadiabatic pathways proposed to account for the nonlinear substituent dependence of the ...
van der Wal JJ +4 more
europepmc +5 more sources
Substituent Effects in the Photophysical and Electrochemical Properties of Meso-Tetraphenylporphyrin Derivatives [PDF]
Porphyrins were identified some years ago as a promising, easily accessible, and tunable class of organic photoredox catalysts, but a systematic study on the effect of the electronic nature and of the position of the substituents on both the ground-state
Alexandra Cruz Millheim +2 more
doaj +2 more sources
13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones [PDF]
The 13C- and 1H-NMR chemical shifts of thirteen N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones were measured in deuterated dimethyl sulfoxide (DMSO-d6). The correlation analysis for the substituent-induced chemical shifts (SCS) with sigmap,
BRATISLAV Z. JOVANOVIC +4 more
doaj +3 more sources
Effect of substituents on the 13C-NMR chemical shifts of 3-methylene-4-substituted-1,4-pentadienes. Part I. [PDF]
The principles of linear free energy relationships were applied to the 13C substituent chemical shifts (SCS) of the carbon atoms in the unsaturated chain of 3-methylene-4-substituted-1,4-pentadienes.
IVAN O. JURANIC +5 more
doaj +3 more sources
Effects of substituents on the electronic absorption spectra of 3-N-(4-substituted phenyl)-5-carboxy uracils in different solvents. Part II. [PDF]
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 +2 more
doaj +2 more sources

