《Quantum-chemical description of nucleophilic substitution reactions in the series of benzene derivatives in a localization approximation》 was written by Pankratov, A. N.. Application In Synthesis of 1-Chloro-4-iodo-2-nitrobenzene And the article was included in Journal of Structural Chemistry (Translation of Zhurnal Strukturnoi Khimii) on August 31 ,2001. The article conveys some information:
The energies of anion localization for reactions of 1-chloro-2-nitro-4-substituted benzenes with the methoxide ion -OCH3 were calculated The correlations between these energies and the relative rate of the nucleophilic substitution were established. The compounds studied were 1-Cl-2-NO2C6H3X, where X = H, CH3, CF3, CN, CHO, COCH3, COC6H5, CONH2, CON(CH3)2, COOCH3, N=NC6H5, N=NOC6H5, NO=NC6H5, N3, NO2, SCH3, SO2CH3, SO2C6H11, SO2C6H5, SO2N(CH3)C6H5, F, Cl, Br, and I. PM3 quantum-chem. calculations were performed using the MOPAC programs with full geometry optimization. Linear dependences of Inν on Λ- [Λ- = ΔΔHf, ΔΔGf (Gibbs energies)]. The correlation coefficients were rather high, especially when the exptl. data for the reaction in the polar medium were compared with the gas-phase reactivity index. For the reaction at 0°, the linear model is even more adequate if the exptl. and calculated data for 1-chloro-2-nitro-4-X-benzenes with X = N=NOC6H5, NO=NC6H5, N3, and F are excluded from consideration. In the experiment, the researchers used many compounds, for example, 1-Chloro-4-iodo-2-nitrobenzene(cas: 41252-95-3Application In Synthesis of 1-Chloro-4-iodo-2-nitrobenzene)
1-Chloro-4-iodo-2-nitrobenzene(cas: 41252-95-3) belongs to organic iodides.Application In Synthesis of 1-Chloro-4-iodo-2-nitrobenzene The carbon-iodine bond is weaker than other carbon-halogen bonds due to the poor electronegative nature of the iodine atom. In general, organic iodides are light-sensitive and turn yellow during storage, owing to the formation of iodine.
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com