Substituent Electronic Effects on the Mulliken Charges of N-(4-Substituted Benzylidene)-1-Phenylmethanamine Oxide Elucidated by DFT Calculations
نویسندگان
چکیده
منابع مشابه
Substituent Electronic Effects on the Mulliken Charges of N-(4-Substituted Benzylidene)-1-Phenylmethanamine Oxide Elucidated by DFT Calculations
Calculations based on density functional methods are carried out to investigate the effects of a variety of substituents (NMe2, OMe, Me, F, H, Cl, CN, NO2) on the Mulliken charges (QM) for Cα and N atoms of N-(4-Substituted benzylidene)-1-phenylmethanamine oxide using Hammett’s MSP and Taft’s DSP equations. The MSP and DSP correlations give normal substituent effect at Cα and N atom sites. This...
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ژورنال
عنوان ژورنال: Journal of Scientific Research
سال: 2010
ISSN: 2070-0245,2070-0237
DOI: 10.3329/jsr.v2i2.3634