Abstract

The infrared (IR) spectra of magnesium perchlorate hexahydrate (MPHH) have been reported in the region of internal modes of perchlorate and water. The internal modes reported by Ross are in agreement with our results; however, Miller and Wilkixs results differ to some extent. To the best of our knowledge, the data regarding the bandwidths and intensities in the internal region of water (essential clues to ascertain the coordination effects in the lattices) are available neither for the hydrated nor for the deuterated analogue of MPHH. In the present study, these data are discussed in the light of hydrogen bonding and M—O_w coordination. A simple model is used to estimate the intensity ratio of the <i>v</i>₁ and <i>v</i>₃ bands of bound water. The mechanical and electrical anharmonities of <i>v</i>₂ mode of H₂O, HOD, and D₂O are also calculated and discussed.

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