Structure of selected basic copper (II) sulphate minerals based upon spectroscopy : implications for hydrogen bonding
Frost, Ray L., Reddy, B. Jagannadha, & Keeffe, Eloise C. (2010) Structure of selected basic copper (II) sulphate minerals based upon spectroscopy : implications for hydrogen bonding. Journal of Molecular Structure, 977(1-3), pp. 90-99.
The application of near-infrared and infrared spectroscopy has been used for identification and distinction of basic Cu-sulphates that include devilline, chalcoalumite and caledonite. Near-infrared spectra of copper sulphate minerals confirm copper in divalent state. Jahn-Teller effect is more significant in chalcoalumite where 2B1g ® 2B2g transition band shows a larger splitting (490 cm-1) confirming more distorted octahedral coordination of Cu2+ ion. One symmetrical band at 5145 cm-1 with shoulder band 5715 cm-1 result from the absorbed molecular water in the copper complexes are the combinations of OH vibrations of H2O. One sharp band at around 3400 cm-1 in IR common to the three complexes is evidenced by Cu-OH vibrations. The strong absorptions observed at 1685 and 1620 cm-1 for water bending modes in two species confirm strong hydrogen bonding in devilline and chalcoalumite. The multiple bands in v3 and v4(SO4)2- stretching regions are attributed to the reduction of symmetry to the sulphate ion from Td to C2V. Chalcoalumite, the excellent IR absorber over the range 3800-500 cm-1 is treated as most efficient heat insulator among the Cu-sulphate complexes.
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|Item Type:||Journal Article|
|Additional Information:||This paper is one of a series of papers on the Near infrared spectroscopy of minerals. The wrok adds to the fundamental knowledge of the colour of minerals|
|Keywords:||devilline, chalcoalumite, caledonite, Near-IR and Mid-infrared|
|Subjects:||Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600)
Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
|Divisions:||Past > Schools > Chemistry
Past > QUT Faculties & Divisions > Faculty of Science and Technology
|Copyright Owner:||Copyright 2010 Elsevier|
|Deposited On:||11 Jul 2010 23:09|
|Last Modified:||29 Feb 2012 14:20|
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