A theoretical study on vibration frequencies of some aniline derivatives and correlations with experimental data was written by Rezaei-Sameti, M.. And the article was included in Asian Journal of Chemistry in 2010.Recommanded Product: 615-55-4 This article mentions the following:
A theor. study on the vibrational frequencies of all possible isomers of some aniline derivatives C6H5-nXnNH2 (n = 1-5; X = F, Cl, Br) is reported. Calculations were done at B3LYP employing the 6-31G(d), 6-31G(d,p), 6-31++G(d,p) and 6-311++G(d,p) levels of theory. The optimized structures were used for calculation of vibrational frequencies at B3LYP/6-311++G(d,p) level of theory. The resulting data were scaled by 0.952 for N-H stretching bond and 0.981 for C-N, C-X (X = F, Cl, Br), C=C, N-H (bending) bonds. There is a good agreement between the scaled theor. frequencies and exptl. data for this type of compounds In the experiment, the researchers used many compounds, for example, 3,4-Dibromoaniline (cas: 615-55-4Recommanded Product: 615-55-4).
3,4-Dibromoaniline (cas: 615-55-4) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Recommanded Product: 615-55-4
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary