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In the reactions with substituted iodobenzenes, the degree of functionalization was influenced by the substituents on the aryl groups depending on their position, which allowed us to realize control of the PL intensity and wavelength. The methyl or methoxy group at the 2\u2010position and methyl groups at the 3,5\u2010positions of the phenyl group respectively increased the E<jats:sub>11<\/jats:sub>** PL and E<jats:sub>11<\/jats:sub>* PL selectivity at ~1230 and ~1100\u2005nm. Methyl groups at the 2,6\u2010positions emerged two new PL peaks. These PL characteristics were prominently observed in the (6,4) SWCNT adducts, which were separated by gel chromatography. Theoretical calculations of model compounds showed that the effect of the substituent at the <jats:italic>ortho<\/jats:italic>\u2010position on the relative stability of the isomers with different binding configurations was greater for the diarylated SWCNTs than for the hydroarylated SWCNTs. 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