Coulomb- and antiferromagnetic-induced fission in doubly charged cubelike Fe-S clusters

Physical Review Letters

Volumn 89, Issue 16, 2002, Pages 163401/1-163401/4

  Yang, Xin ^a   Wang, Xue Bin ^a   Niu, Shuqiang ^b   Pickett, Chris J ^c   Ichiye, Toshiko ^b   Wang, Lai Sheng ^a  

^a WASHINGTON STATE UNIVERSITY   (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

^c JOHN INNES CENTRE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRONIC STRUCTURE; IONIZATION; MASS SPECTROMETERS; NEGATIVE IONS; PHOTOELECTRON SPECTROSCOPY;

ANTIFERROMAGNETIC COUPLING; COULOMB REPULSION; ELECTROSPRAY IONIZATION; INTRAMOLECULAR ELECTROSTATIC INTERACTIONS; ION TRANSPORT; REPULSIVE COULOMB BARRIER;

FISSION REACTIONS;

IRON DERIVATIVE; IRON SULFUR PROTEIN; SULFUR DERIVATIVE;

CHEMICAL STRUCTURE; CHEMISTRY; ELECTROCHEMISTRY; ELECTROSPRAY MASS SPECTROMETRY; SPECTROSCOPY;

ELECTROCHEMISTRY; IRON COMPOUNDS; IRON-SULFUR PROTEINS; MODELS, MOLECULAR; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; SPECTRUM ANALYSIS; SULFUR COMPOUNDS;

EID: 18744363663     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.89.163401     Document Type: Article

References (27)

1. H. Beinert, R. H. Holm, and E. Munck, Science 277, 653 (1997).
2. I. Bertini, S. Ciurli, and C. Luchinat, Struct. Bonding (Berlin) 83, 1 (1995).
3. J. A. Ibers and R. H. Holm, Science 209, 223 (1980).
4. R. H. Holm and J. A. Ibers, Iron-Sulfur Proteins III, edited by W. Lovenberg (Academic, New York, 1977), p. 205.
5. H. Beinert, M. C. Kennedy, and C. D. Stout, Chem. Rev. (Washington, D.C.) 96, 2335 (1996).
6. J. C. Boyington et al., Science 275, 1305 (1997).
7. J. W. Peters, W. N. Lanzilotta, B. J. Lemon, and L. C. Seefeldt, Science 282, 1853 (1998).
8. J. Kim and D. C. Rees, Science 257, 1677 (1992).
9. B. Schmid et al., Science 296, 352 (2002).
10. R. H. Holm, P. Kennepohl, and E. I. Solomon, Chem. Rev. (Washington, D.C.) 96, 3329 (1996).
11. Iron-Sulfur Proteins, edited by T.G. Spiro (Wiley, New York, 1982).
12. L. Noodleman and E. J. Baerends, J. Am. Chem. Soc. 106, 2316 (1984).
13. L. Noodleman and D. A. Case, Adv. Inorg. Chem. 38, 423 (1992).
14. L. Noodleman, C.Y. Peng, D.A. Case, and J.-M. Mouesca, Coord. Chem. Rev. 144, 199 (1995).
15. L. S. Wang, C. F. Ding, X. B. Wang, and S. E. Barlow, Rev. Sci. Instrum. 70, 1957 (1999).
16. L. S. Wang and X. B. Wang, J. Phys. Chem. A 104, 1978 (2000).
17. L. S. Wang, C. F. Ding, X. B. Wang, and J. B. Nicholas, Phys. Rev. Lett. 81, 2667 (1998).
18. M. K. Scheller, R. N. Compton, and L. S. Cederbaum, Science 270, 1160 (1995).
19. A. Dreuw and L. S. Cederbaum, Chem. Rev. (Washington, D.C.) 102, 181 (2002).
20. D. Zhang and R. G. Cooks, Int. J. Mass Spectrom. 195/196, 667 (2000).
21. N. Bohr and J. A. Wheeler, Phys. Rev. 56, 426 (1939).
22. U. Naher, S. Bjornholm, S. Frauendorf, F. Garcias, and C. Guet, Phys. Rep. 285, 245 (1997).
23. C. Brechignac, Ph. Cahuzac, F. Carlier, and M. de Frutos, Phys. Rev. Lett. 64, 2893 (1990).
24. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
25. W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory (Wiley-Interscience, New York, 1986).
26. High Performance Computational Chemistry Group, NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.0.1 (2001), Pacific Northwest National Laboratory, Richland, Washington 99352.
27. L. Noodleman, D. A. Case, and E. J. Baerends, in Density Functional Methods in Chemistry, edited by J.K. Labonowski and J.W. Andzelm (Springer-Verlag, New York, 1991), pp. 109-123.