Synthetic deuterated erythrite—a vibrational spectroscopic study

Abstract

A comparison of deuterated and non-deuterated erythrite has been made using a combination of infrared and Raman spectroscopy. Infrared spectrum shows bands at 3442, 3358, 3194 and 3039 cm −1. The band at 3442 cm −1 is attributed to weakly hydrogen bonded water and the band at 3039 cm −1 to strongly hydrogen bonded water. Deuteration results in the observation of OD bands at 2563, 2407 and 2279 cm −1. The ratio of these bands change with deuteration. Deuteration shows that the strongly hydrogen bonded water is replaced in preference to the weakly hydrogen bonded water. Three HOH bending modes are observed at 1686, 1633, 1572 and DOD bending modes at 1236, 1203 and 1176 cm −1. Deuteration causes the loss of intensity of the bands at 841, 710 and 561 cm −1 and new bands are observed at 692, 648 and 617 cm −1. These three bands are attributed to the water librational modes. Deuteration results in an additional Raman band at 809 cm −1 with increasing intensity with extent of deuteration. Deuteration results in the shift of Raman bands to lower wavenumbers.