The reactions between N-methylbenzothiazole-2(3H)-thione (1) and N-methylbenzothiazole-2(3H)-selone (2) with ICl in CH2Cl2/n-hexane solution in a 1:1 molar ratio afford the products 1·ICl (I) and 2·ICl (II) respectively. X-ray crystal structure determinations show that both compounds are charge-transfer adducts exhibiting a linear E-I-Cl arrangement [E=S (1), Se (2)]. The net increase in the I-Cl bond distance with respect to the ICl molecule in the gas phase, upon coordination to 1 and 2, is correlated with the corresponding d(E-I) bond distances (E=S, Se). The charge-transfer nature of complexes I and II has then been verified by reporting Δd(I-X) against d(E-I) for structurally characterised neutral I2-, IBr- and ICl-adducts [X=I, Br, Cl; E=S, Se; Δd(I-X)=d(I-X)adduct-d(I-X)gas phase] and by observing that the data share the same curve. The FT-Raman and FT-IR spectra of I and II are discussed on the basis of their structural features.

Reactions of N-methylbenzothiazole-2(3H)-thione (1) and –selone (2) with ICl. Synthesis and X-ray crystal structure of the charge-transfer adducts 1.ICl (I) and 2.ICl (II).

ISAIA, FRANCESCO;LIPPOLIS, VITO;
1999-01-01

Abstract

The reactions between N-methylbenzothiazole-2(3H)-thione (1) and N-methylbenzothiazole-2(3H)-selone (2) with ICl in CH2Cl2/n-hexane solution in a 1:1 molar ratio afford the products 1·ICl (I) and 2·ICl (II) respectively. X-ray crystal structure determinations show that both compounds are charge-transfer adducts exhibiting a linear E-I-Cl arrangement [E=S (1), Se (2)]. The net increase in the I-Cl bond distance with respect to the ICl molecule in the gas phase, upon coordination to 1 and 2, is correlated with the corresponding d(E-I) bond distances (E=S, Se). The charge-transfer nature of complexes I and II has then been verified by reporting Δd(I-X) against d(E-I) for structurally characterised neutral I2-, IBr- and ICl-adducts [X=I, Br, Cl; E=S, Se; Δd(I-X)=d(I-X)adduct-d(I-X)gas phase] and by observing that the data share the same curve. The FT-Raman and FT-IR spectra of I and II are discussed on the basis of their structural features.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11584/105640
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