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- W2138818947 abstract "Abstract The electronic structures of pyrimidine ( 1 ) and its substituted derivatives 2 − 15 have been investigated by ultraviolet photoelectron spectroscopy and quantum chemical methods. The ionisation potentials corresponding to the π MOs π 1 ‐π 3 and the two n N orbitals of the pyrimidine unit could be determined and assigned for 1 − 15 . Multiple linear regression analyses of the IP s related to these orbitals with different substituent constants indicated that Hammett σ p values performed well for all these IP s, whereas the resonance parameters R and R + were satisfactory for π and poor for n N ionisations. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)" @default.
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- W2138818947 date "2005-02-01" @default.
- W2138818947 modified "2023-09-23" @default.
- W2138818947 title "Photoelectron Spectra and Electronic Structures of Substituted Pyrimidines" @default.
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- W2138818947 doi "https://doi.org/10.1002/ejoc.200400534" @default.
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