Density functional theory analysis of molybdenum isotope fractionation.

  title={Density functional theory analysis of molybdenum isotope fractionation.},
  author={Colin L Weeks and Ariel D Anbar and Laura E. Wasylenki and Thomas G. Spiro},
  journal={The journal of physical chemistry. A},
  volume={111 49},
Analytical studies have found an enrichment of the lighter Mo isotopes in oxic marine sediments compared to seawater, with isotope fractionation factors of -1.7 to -2.0 per thousand for Delta97/95Mosediment-seawater. These data place constraints on the possible identities of dissolved and adsorbed species because the equilibrium isotope fractionation depends on the energy differences between the isotopomers of the adsorbed species, minor dissolved species, and the dominant solution species… CONTINUE READING