Theoretical and experimental investigation of nickel isotopic fractionation in species relevant to modern and ancient oceans

Geochimica et Cosmochimica Acta

Volumn 75, Issue 2, 2011, Pages 469-482

  Fujii, Toshiyuki ^a   Moynier, Frédéric ^b   Dauphas, Nicolas ^c   Abe, Minori ^d  

^a KYOTO UNIVERSITY   (Japan)

^b WASHINGTON UNIVERSITY   (United States)

^c UNIVERSITY OF CHICAGO   (United States)

^d TOKYO METROPOLITAN UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMARKER; ENZYME; EXPERIMENTAL STUDY; ISOTOPIC COMPOSITION; ISOTOPIC FRACTIONATION; LIGAND; MARINE ECOSYSTEM; METABOLISM; METHANOGENIC BACTERIUM; NICKEL; STABLE ISOTOPE; THEORETICAL STUDY; TRACER;

EID: 78650199990     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2010.11.003     Document Type: Article

References (111)

1. Abe M., Suzuki T., Fuji Y., Hada M. An ab initio study based on a finite nucleus model for isotope fractionation in the U(III)-(IV) exchange reaction system. J. Chem. Phys. 2008, 128:144309.
2. Abe M., Suzuki T., Fujii Y., Hada M., Hirao K. An ab initio molecular orbital study of the nuclear volume effects in uranium isotope fractionations. J. Chem. Phys. 2008, 129:164309.
3. Abe M., Suzuki T., Fujii Y., Hada M., Hirao K. Ligand effect on uranium isotope fractionations caused by nuclear volume effects: an ab initio relativistic molecular orbital study. J. Chem. Phys. 2010, 133:044309.
4. Agulló-Rueda F., Calleja J.M., Martini M., Spinolo G., Cariati F. Raman and infrared spectra of transition metal halide hexahydrates. J. Raman Spectrosc. 1987, 18:485-491.
5. Albarède F., Telouk P., Blichert-Toft J., Boyet M., Agranier A., Nelson B. Precise and accurate isotopic measurements using multiple-collector ICPMS. Geochim. Cosmochim. Acta 2004, 68:2715-2744.
6. Al-Farawati R., van den Berg C.M.G. Metal-sulfide complexation in seawater. Mar. Chem. 1999, 63:331-352.
7. 2+: implications for iron stable isotope geochemistry. Geochim. Cosmochim. Acta 2005, 69:825-837.
8. Baes C.F., Mesmer R.E. The Hydrolysis of Cations 1976, Wiley, New York.
9. Baeyens B., Bradbury M.H., Hummel W. Determination of aqueous nickel-carbonate and nickel-oxalate complexation constants. J. Solut. Chem. 2003, 32:319-339.
10. Balci N., Bullen T.D., Witte-Lien K., Sjanks W.C., Motelica M., Mandernack K.W. Iron isotope fractionation during microbially stimulated Fe(II) oxidation and Fe(III) precipitation. Geochim. Cosmochim. Acta 2006, 70:622-639.
11. Beard B.L., Johnson C.M., Cox L., Sun H., Nealson K.H., Aguilar C. Iron isotope biosignature. Science 1999, 285:1889-1892.
12. Bechtold D.B., Liu G., Dodgen H.W., Hunt J.P. An oxygen-17 nuclear magnetic resonance study of the aquo nickel(II) sulfate system. J. Phys. Chem. 1978, 82:333-337.
13. Becke A.D. Density-functional thermochemistry: 3. The role of exact exchange. J. Chem. Phys. 1993, 98:5648-5652.
14. 2O. J. Mol. Struct. 1991, 243:341-350.
15. 2O and its aqueous solution. J. Mol. Struct. 1993, 296:21-28.
16. Bigeleisen J., Mayer M.G. Calculation of equilibrium constants for isotopic exchange reactions. J. Chem. Phys. 1947, 15:261-267.
17. Bigeleisen J. Nuclear size and shape effects in chemical reactions: isotope chemistry of the heavy elements. J. Am. Chem. Soc. 1996, 118:3676-3680.
18. Bjerrum J. Estimation of small stability constants in aqueous solution. The nickel(II)-chloride system. Acta Chem. Scand. A 1988, 42:714-716.
19. Bock C.W., Markham G.D., Katz A.K., Glusker J.P. The arrangement of first- and second-shell water molecules around metal ions. Effects of charge and size. Theor. Chem. Accounts 2006, 115:100-112.
20. Bruland K.W. Oceanographic distributions of cadmium, zinc, nickel, and copper in the North Pacific. Earth Planet. Sci. Lett. 1980, 47:176-198.
21. Bruland K.W., Lohan M.C. The control of trace metals in seawater. Treatise on Geochemistry 2003, Elsevier, Oxford. H.D. Holland, K.K. Turekian (Eds.).
22. Byrne R.H., Kump L.R., Cantrell K.J. The influence of temperature and pH on trace metal speciation in seawater. Mar. Chem. 1988, 25:163-181.
23. Cameron V., Vance D., Archer C., House C. A biomarker based on the stable isotopes of nickel. Proc. Natl. Acad. Sci. USA 2009, 27:10944-10948.
24. 2 aqueous solutions. Faraday Discuss. 1977, 64:62-68.
25. 2O interactions in the presence of nickel and magnesium ions. Chem. Phys. Lett. 1982, 88:103-108.
26. 2O interactions in aqueous solutions. J. Chem. Phys. 1986, 84:3336-3338.
27. Chen T., Hefter G., Buchner R. Ion association and hydration in aqueous solutions of nickel(II) and cobalt(II) sulfate. J. Solut. Chem. 2005, 34:1045-1066.
28. Cook D.L., Wadhwa M., Clayton R.N., Dauphas N., Janney P.E., Davis A.M. Mass-dependent fractionation of nickel isotopes in meteoritic metal. Meteor. Planet. Sci. 2007, 42:2067-2077.
29. Crosby H.A., Johnson C.M., Roden E.E., Beard B.L. Coupled Fe(II)-Fe(III) electron and atom exchange as a mechanism for Fe isotopic fractionation during dissimilatory iron oxide reduction. Environ. Sci. Technol. 2005, 39:6698-6704.
30. Croal L.R., Johnson C.M., Beard B.L., Newman D.K. Iron isotope fractionation by Fe(II)-oxidizing photoautotrophic bacteria. Geochim. Cosmochim. Acta 2004, 68:1227-1242.
31. Dauphas N., Rouxel O. Mass spectrometry and natural variations of iron isotopes. Mass Spectrom. Rev. 2006, 25:515-550.
32. Dauphas N., Cook D.L., Sacarabany A., Fröhlich C., Davis A.M., Wadhwa M., Pourmand A., Rauscher T., Gallino R. Iron 60 evidence for early injection and efficient mixing of stellar debris in the protosolar nebula. Astrophys. J. 2008, 686:560-569.
33. Dimaras P.I. Morphology and structure of anhydrous nickel sulphate. Acta Crystallogr. 1957, 10:313-315.
34. Domagal-Goldman S.D., Paul K.W., Sparks D.L., Kubicki J.D. Quantum chemical study of the Fe(III)-desferrioxamine B siderophore complex-Electronic structure, vibrational frequencies, and equilibrium Fe-isotope fractionation. Geochim. Cosmochim. Acta 2008, 73:1-12.
35. Donat J.R., Lao K., Bruland K.W. Speciation of dissolved copper and nickel in South San Francisco Bay: a multi-method approach. Anal. Chim. Acta 1994, 284:547-571.
36. Dupont C.L., Barbeau K., Palenik B. Ni uptake and limitation in marine synechococcus strains. Appl. Environ. Microbiol. 2008, 74:23-31.
37. 2, and its aqueous solution. J. Mol. Struct. 1992, 268:13-22.
38. 4], a new trinuclear nickel(II) carbonato-bridged complex with strong antiferromagnetic coupling. Inorg. Chem. 1996, 35:3094-3098.
39. Fricke G. and Heilig K. (2004) Nuclear Charge Radii (Landolt-Bornstein Numerical Data and Functional Relationships in Science and Technology-New Series) (ed. Schopper H.) Springer, Berlin.
40. Frisch M. J., Trucks G. W., Schlegel H. B., Scuseria G. E., Robb M. A., Cheeseman J. R., Montgomery Jr., J. A., Vreven T., Kudin K. N., Burant J. C., Millam J. M., Iyengar S. S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G. A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J. E., Hratchian H. P., Cross J. B., Adamo C., Jaramillo J., Gomperts R., Stratmann R. E., Yazyev O., Austin A. J., Cammi R., Pomelli C., Ochterski J. W., Ayala P. Y., Morokuma K., Voth G. A., Salvador P., Dannenberg J. J., Zakrzewski V. G., Dapprich S., Daniels A. D., Strain M. C., Farkas O., Malick D. K., Rabuck A. D., Raghavachari K., Foresman J. B., Ortiz J. V., Cui Q., Baboul A. G., Clifford S., Cioslowski J., Stefanov B. B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R. L., Fox D. J., Keith T., Al-Laham M. A., Peng C. Y., Nanayakkara A., Challacombe M., Gill P. M. W., Johnson B., Chen W., Wong M. W., Gonzalez C. and Pople J. A. (2003) Gaussian 03, Revision B.05, Gaussian, Inc., Pittsburgh PA.
41. Fujii T., Moynier F., Albarède F. The nuclear field shift effect in chemical exchange reactions. Chem. Geol. 2009, 267:139-156.
42. Fujii T., Moynier F., Telouk P., Albarède F. Nuclear field shift effect in the isotope exchange reaction of cadmium using a crown ether. Chem. Geol. 2009, 267:157-163.
43. Fujii T., Moynier F., Uehara A., Abe M., Yin Q.-Z., Nagai T., Yamana H. Mass-dependent and mass-independent isotope effects of zinc in a redox reaction. J. Phys. Chem. A 2009, 113:12225-12232.
44. Fujii T., Moynier F., Telouk P., Abe M. Experimental and theoretical investigation of isotope fractionation of zinc between aqua, chloro, and macrocyclic complexes. J. Phys. Chem. A 2010, 114:2543-2552.
45. Gramlich J.W., Machlan L.A., Barnes I.L., Paulsen P.J. Absolute isotopic abundance ratios and atomic weight of a reference sample of nickel. J. Res. Natl. Inst. Stand. Technol. 1989, 94:347-356.
46. Hill P.S., Schauble E.A., Shahar A., Tonui E., Young E.D. Experimental studies of equilibrium iron isotope fractionation in ferric aquo-chloro complexes. Geochim. Cosmochim. Acta 2009, 73:2366-2381.
47. Hummel W., Culti E. Nickel aqueous speciation and solubility at ambient conditions: a thermodynamic elegy. Mon. Chem. 2003, 134:941-973.
48. Jepson B. E. and Cairns G. A. (1979) Lithium isotope effects in chemical exchange with (2,2,1) cryptand, MLM-2622.
49. Johnson C.M., Beard B.L., Roden E.E. The iron isotope fingerprints of redox and biogeochemical cycling in the modern and ancient Earth. Annu. Rev. Earth Planet. Sci. 2008, 36:457-493.
50. Jönsson P., He X., Fischer C.F., Grant I.P. The grasp2K relativistic atomic structure package. Comput. Phys. Commun. 2007, 177:597-622.
51. King W.H. Isotope Shifts in Atomic Spectra 1984, Plenum Press, New York.
52. 2O at room temperature and 4.2K by neutron diffraction. J. Chem. Phys. 1969, 50:4690-4696.
53. Konhauser K.O., Pecoits E., Lalonde S.V., Papineau D., Nisbet E.G., Barley M.E., Arndt N.T., Zahnle K., Kamber B.S. Oceanic nickel depletion and a methanogen famine before the Great Oxidation Event. Nature 2009, 458:750-753.
54. Krylov E.I., Makurin Yu.N., Kasimov G.G. Electronic structure of nickel oxalate. J. Struct. Chem. 1976, 17:347-350.
55. Kushwaha S.C., Tates M., Sprott G.D., Smith I.C.P. Novel polar lipids from the methanogen methanospirillum hungatei GP1. Biochim. Biophys. Acta 1981, 664:156-173.
56. Lee C.T., Yang W.T., Parr R.G. Development of the colle-salvetti correlation-energy formula into a functional of the electron-density. Phys. Rev. B 1988, 37:785-789.
57. a values of hydrated transition metal cations by a combined density functional and continuum dielectric theory. Inorg. Chem. 1996, 35:4694-4702.
58. 4. J. Chem. Phys. 1984, 81:6059-6063.
59. 2O interactions in aqueous solutions" J. Chem. Phys. 1986, 85:3135.
60. Lide D.R. CRC Handbook of Chemistry and Physics 2008, CRC Press, Boca Raton. 89th ed.
61. Macleod G., Mcneown C., Hall A.J., Russel M.J. Hydrothermal and oceanic pH conditions of possible relevance to the origin of life. Orig. Life Evol. Biosph. 1994, 24:19-41.
62. Magini M. Solute structuring in aqueous iron(III) sulphate solutions: evidence for the formation of iron(III)-sulphate complexes. J. Chem. Phys. 1979, 70:317-324.
63. Magini M. Hydration and complex formation study on concentrated solutions [M=Co(II), Ni(II), Cu(II)] by X-ray diffraction technique. J. Chem. Phys. 1981, 74:2523-2529.
64. 2+ ratios. An X-ray diffraction investigation. J. Chem. Phys. 1982, 76:1116-1121.
65. Mandernack K.W., Bazylinski D.A., Shanks W.C., Bullen T.D. Oxygen and iron isotope studies of magnetite produced by magnetitactic bacteria. Science 1999, 285:1892-1896.
66. Marcus Y. Ion Solvation 1985, John Wiley & Sons, New York.
67. 2O. J. Phys. Soc. Jpn. 1961, 16:1574-1580.
68. Moynier F., Blichert-Toft J., Telouk P., Luck J.M., Albarede F. Comparative stable isotope geochemistry of Ni, Cu, Zn, and Fe in chondrites and iron meteorites. Geochim. Cosmochim. Acta 2007, 71:4365-4379.
69. 2+ in aqueous solutions. J. Phys. C Solid State Phys. 1978, 11:L625-L628.
70. Neuberg C., Grauer A., Kreidl M., Lowy H. The role of the carbamate reaction in the calcium and phosphorus cycles in nature. Arch. Biochem. Biophys. 1957, 70:70-79.
71. Nishizawa K., Ishino S., Watanabe H., Shinagawa M. Lithium isotope separation by liquid-liquid extraction using benzo-15-crown-5. J. Nucl. Sci. Technol. 1984, 21:694-701.
72. Nishizawa K., Miki T., Ikeda R., Fujii T., Yamamoto T., Nomura M. Isotopic enrichment of nickel in aqueous solution/crown ether system. J. Mass Spectrom. Soc. Jpn. 1997, 45:521-527.
73. Nomura M., Higuchi N., Fujii Y. Mass dependence of uranium isotope effects in the U(IV)-U(VI) exchange reaction. J. Am. Chem. Soc. 1996, 118:9127-9130.
74. O'Connor B.H., Dale D.H. A neutron diffraction analysis of the crystal structure of tetragonal nickel sulphate hexadeuterate. Acta Crystallogr. 1966, 21:705-709.
75. Pattanaik S., Huggins F.E., Huffman G.P., Linak W.P., Miller C.A. XAFS studies of nickel sulfur speciation in residual oil fly-ash particulate matters (ROFA PM). Environ. Sci. Technol. 2007, 41:1104-1110.
76. Pourbaix M. Atlas of Electrochemical Equilibria in Aqueous Solutions 1974, NACE, Hiuston.
77. Price N.M., Morel F.M.M. Colimitation of phytoplankton growth by nickel and nitrogen. Limnol. Oceanogr. 1991, 36:1071-1077.
78. 2O at room temperature and 25K. Acta Crystallogr. B 1997, 53:325-336.
79. 2O at 295 and 30K. Acta Crystallogr. B 1999, 55:830-840.
80. Pye C.C., Corbeil C.R., Rudolph W.W. An ab initio investigation of zinc chloro complexes. Phys. Chem. Chem. Phys. 2006, 8:5428-5436.
81. Rickard D., Luther G.W. Metal sulfide complexes and clusters. Rev. Miner. Geochem. 2006, 61:421-504.
82. Robert F., Chaussidon M. A palaeotemperature curve for the Precambrian oceans based on silicon isotopes in cherts. Nature 2006, 443:969-972.
83. Rosseinsky D.R. Electrode potentials and hydration energies. Theories and correlations. Chem. Rev. 1965, 65:467-490.
84. Román P., Guzmán-Miralles C., Luque A. Structure of dipotassium trans-diaquabis(oxalate-O,O')nickelate(II)-water (1/4). Acta Cryst. 1993, C49:1336-1339.
85. Rudolph W.W., Pye C.C. Zinc(II) hydration in aqueous solution. A Raman spectroscopic investigation and an ab-initio molecular orbital study. Phys. Chem. Chem. Phys. 1999, 1:4583-4593.
86. 2+. J. Phys. Chem. A 1999, 103:1634-1639.
87. Russell W.A., Papanastassiou D.A., Tombrello T.A., Epstein S. Search for Ca isotopic fractionation and correlation of Ca and O effects. Lunar Sci. 1977, 8:823-825.
88. Russell W.A., Papanastassiou D.A., Tombrello T.A. Ca isotope fractionation on earth and other solar-system materials. Geochim. Cosmochim. Acta 1978, 42:1075-1090.
89. Saito M.A., Sigman D.M., Morel F.M.M. The bioinorganic chemistry of the ancient ocean: the co-evolution of cyanobacterial metal requirements and biogeochemical cycles at the Archean-Proterozoic boundary?. Geochim. Cosmochim. Acta 2003, 356:308-318.
90. Saito M.A., Moffett J.W., DiTullio G.R. Cobalt and nickel in the Peru upwelling region: a major flux of labile cobalt utilized as a micronutrient. Global Biogeochem. Cycles 2004, 18:GB4030.
91. 2 solutions: study of the extended X-ray absorption fine structure. J. Chem. Phys. 1979, 71:2381-2386.
92. Schauble E.A. Role of nuclear volume in driving equilibrium stable isotope fractionation of mercury, thallium, and other very heavy elements. Geochim. Cosmochim. Acta 2007, 71:2170-2189.
93. Schnitzer M., Skinner S.I.M. Organo-metallic interactions in soils: 4. Carboxyl and hydroxyl groups in organic matter and metal retention. Soil Sci. 1965, 99:278-284.
94. Sclater F.R., Boyle E., Edmond J.M. On the marine geochemistry of nickel. Earth Planet. Sci. Lett. 1976, 31:119-128.
95. Smith D.W. Ionic hydration enthalpies. J. Chem. Educ. 1977, 54:540-542.
96. Smith R.M., Martell A.E. Critical Stability Constants 1976, vol. 6, 2nd Suppl.. Plenum Press, New York.
97. Thauer R.K. Biochemistry of methanogenesis: a tribute to Marjory Stephenson. Microbiology 1998, 144:2377-2406.
98. Tsierkezos N.G., Molinou I.E. Limiting molar conductances and thermodynamic association constants for nickel(II), cadmium(II), magnesium(II), and copper(II) sulfates in mixtures of methanol and water at 293.15K. J. Chem. Eng. Data 2000, 45:819-822.
99. Turner D.R., Whitfield M., Dickson A.G. The equilibrium speciation of dissolved components in freshwater and sea water at 25°C and 1atm pressure. Geochim. Cosmochim. Acta 1981, 45:855-881.
100. Turner A., Martino M. Modelling the equilibrium speciation of nickel in the Tweed Estuary, UK: voltametric determination and simulations using WHAM. Mar. Chem. 2006, 102:198-207.
101. Urey H.C. The thermodynamic properties of isotopic substances. J. Chem. Soc. 1947, 562-581.
102. Vraspir J.M., Butler A. Chemistry of marine ligands and siderophores. Annu. Rev. Mar. Sci. 2009, 1:43-63.
103. 2+. Chem. Lett. 1992, 1489-1492.
104. 2O. cis/trans Selectivity in transition metal(II) dihalide tetrahydrate. Inorg. Chim. Acta 1992, 192:173-181.
105. Waizumi K., Kouda T., Tanio A., Fukushima N., Ohtaki H. Structural studies on saturated aqueous solutions of manganese(II), cobalt(II), and nickel(II) chlorides by X-ray diffraction. J. Solut. Chem. 1999, 28:83-100.
106. Walker J.C.G. Possible limits on the composition of the Archaean ocean. Nature 1983, 302:518-520.
107. Wasylkiewicz S. Ion association in aqueous solutions of electrolytes: II. Mathematical model for sulphates of bivalent metals. Fluid Phase Equilibria 1990, 57:277-296.
108. Watters J.I., DeWitt R. The complexes of nickel(II) ion in aqueous solutions containing oxalate ion and ethylenediamine. J. Am. Chem. Soc. 1960, 82:1333-1339.
109. Wikstrom J.P., Filatov A.S., Mikhalyova E.A., Shatruk M., Foxmane B.M., Rybak-Akimova E.V. Carbonate formation within a nickel dimer: synthesis of a coordinatively unsaturated bis(μ-hydroxo) dinickel complex and its reactivity toward carbon dioxide. Dalton Trans. 2010, 39:2504-2514.
110. Woese C.R., Fox G.E. Phylogenetic structure of the prokaryotic domain: the primary kingdoms. Proc. Natl. Acad. Sci. USA 1977, 74:5088-5090.
111. Zhorov V.A., Bezborodova A., Popov N.I. Predominance area diagrams and equilibrium ratios of inorganic form of Co and Ni in oceanic water. Oceanology 1976, 16:463.