title: Overtone spectra of aniline derivatives.
abstract: Overtone spectra of 2-ethylaniline, N-methylaniline, N-ethylaniline, N,N-dimethylaniline and N,N-diethylaniline have been studied in 2500-15000 cm(-1) region. Vibrational frequency and anharmonicity constants for aryl/alkyl C-H stretch and N-H stretch vibrations have been determined. The effect of substitution of C(2)H(5) group on the ortho position in the ring and CH(3)/C(2)H(5) at the positions of the H-atom in NH(2) group has been studied in these molecules. It is noted that the aryl C-H stretching frequency and the N-H stretching frequency is appreciably increased due to the replacement of H in NH(2) group by CH(3)/C(2)H(5). These experimental observations are well supported by theoretical calculations for charge density on N-atom using molecular orbital AM(1) method.
authors.affiliation: Department of Physics, Laser and Spectroscopy Laboratory, Banaras Hindu University, Varanasi 221 005, India.
authors.forename: Vineet Kumar
authors.initials: VK
authors.lastname: Rai
authors.forename: Amareswar
authors.initials: A
authors.lastname: Rai
authors.forename: D K
authors.initials: DK
authors.lastname: Rai
authors.forename: S B
authors.initials: SB
authors.lastname: Rai
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry*; D002244:Carbon / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry; D006860:Hydrogen Bonding; D009584:Nitrogen / Q000737:chemistry; D013053:Spectrophotometry / Q000379:methods*; D013055:Spectrophotometry, Infrared / Q000379:methods; D013059:Spectrum Analysis, Raman / Q000379:methods
chemical_list: D000814:Aniline Compounds; D002244:Carbon; D006859:Hydrogen; C056014:4-ethylaniline; D009584:Nitrogen; C023650:aniline; C021313:methylaniline