XXII.—Derivatives of highly substituted anilines
نویسندگان
چکیده
منابع مشابه
Chemistry in Nanodroplets: Studies of Protonation Sites of Substituted Anilines in Water Clusters Using FT-ICR
Water clusters of protonated substituted anilines generated by an electrospray ion source have been investigated using a Fourier Transform ion cyclotron resonance mass spectrometer. It is observed that evaporation kinetics and cluster distributions are highly dependent on sites of protonation in the substituted anilines. Based on the examination of the water cluster distributions of protonated ...
متن کاملComparison of quantum chemical parameters and Hammett constants in correlating pK(a) values of substituted anilines.
Historically, Hammett constants have been extremely effective in describing the influence of substituents on chemical reactivity and other physical and chemical properties, whereas variables derived from quantum chemical calculations have generally been less effective. Taking the experimental pK(a)s of substituted anilines as a representative physicochemical property, five ab initio quantum che...
متن کاملTowards physical interpretation of substituent effects: the case of meta- and para-substituted anilines.
Quantum chemical modeling was used to investigate the electron-donating properties of the amino group in a series of meta- and para-X-substituted anilines (X = NMe2, NH2, OH, OMe, CH3, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, and NO). Different methods (HF, B3LYP, and M06-2X) and basis sets (6-31+G(d,p), 6-311++G(d,p), and aug-cc-pVDZ) were applied and compared with the MP2 approach. The...
متن کاملControl of Photoluminescence of Carbon Nanodots via Surface Functionalization using Para-substituted Anilines
Carbon nanodots (C-dots) are a kind of fluorescent carbon nanomaterials, composed of polyaromatic carbon domains surrounded by amorphous carbon frames, and have attracted a great deal of attention because of their interesting properties. There are still, however, challenges ahead such as blue-biased photoluminescence, spectral broadness, undefined energy gaps and etc. In this report, we chemica...
متن کاملComputational study of the rate constants and free energies of intramolecular radical addition to substituted anilines
The intramolecular radical addition to aniline derivatives was investigated by DFT calculations. The computational methods were benchmarked by comparing the calculated values of the rate constant for the 5-exo cyclization of the hexenyl radical with the experimental values. The dispersion-corrected PW6B95-D3 functional provided very good results with deviations for the free activation barrier c...
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ژورنال
عنوان ژورنال: J. Chem. Soc., Trans.
سال: 1904
ISSN: 0368-1645
DOI: 10.1039/ct9048500179