Single-crystal Raman and infrared study of aluminium trichloride hexa-hydrate

Abstract
Single-crystal Raman spectra obtained at 115 K are reported for [Al(OH2)6]Cl3 and its deuteriate. Single-crystal i.r.-reflectance spectra have been recorded at ambient temperature for both materials. All the Raman bands predicted by factor-group analysis (f.g.a.) are observed, as are most of the i.r. bands. On the basis of the f.g.a. an assignment is made of the ‘external’ modes(wag, twist, and rock) of co-ordinated water with the order wag > twist > rock, and ν1(of AlO6) is placed at 524 cm–1. An alternative assignment places ν1 at 701 cm–1 but yields less satisfactory force constants. The chief ambiguity remaining is in the location of ν3(of AlO6) which is probably at ca. 670 cm–1.

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