Inelastic x-ray scattering of dense solid oxygen: Evidence for intermolecular bonding

Proceedings of the National Academy of Sciences of the United States of America

Volumn 105, Issue 33, 2008, Pages 11640-11644

  Meng, Yue ^a   Eng, Peter J ^b   Tse, John S ^c   Shaw, Dawn M ^c   Hu, Michael Y ^a   Shu, Jinfu ^d   Gramsch, Stephen A ^d   Kao, Chichang ^e   Hemley, Russell J ^d   Mao, Ho Kwang ^a,d  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

^c UNIVERSITY OF SASKATCHEWAN   (Canada)

^d GEOPHYSICAL LABORATORY   (United States)

^e BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

High pressure; High pressure phases of oxygen; Molecular interaction; X ray Raman scattering

Indexed keywords

OXYGEN;

ARTICLE; CHEMICAL BOND; MOLECULAR INTERACTION; PRIORITY JOURNAL; SOLID; SYNCHROTRON; X RAY;

SUIDAE;

EID: 50149112401     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.0805601105     Document Type: Article

References (42)

1. 2 at 5.5 GPa and 299 K. Acta Crystallogr B 37:1329-1332.
2. 2 at 9.6 GPa and 297 K. Acta Crystallogr B 39:153-157.
3. 8 cluster structure of the epsilon phase of solid oxygen. Phys Rev Lett 97:085503.
4. 8 molecular lattice in the epsilon phase of solid oxygen. Nature 443:201-204.
5. Akahama Y, Kawamura H, Hausermann D, Hanfland M, Shimomura O (1995) New high-pressure structural transition of oxygen at 96 GPa associated with metallization in a molecular-solid. Phys Rev Lett 74:4690-4693.
6. Nicol M, Hirsch KR, Holzapfel WB (1979) Oxygen phase equilibria near 298 K. Chem Phys Lett 68:49-52.
7. Agnew SF, Swanson BI, Jones LH (1987) Extended interactions in the epsilon-phase of oxygen. J Chem Phys 86:5239-5245.
8. Gorelli FA, Ulivi L, Santoro M, Bini R (1999) The epsilon phase of solid oxygen: Evidence of an O-4 molecule lattice. Phys Rev Lett 83:4093-4096.
9. Akahama Y, Kawamura H (2000) High-pressure infrared spectroscopy of solid oxygen. Phys Rev B 61:8801-8805.
10. Desgreniers S, Vohra YK, Ruoff AL (1990) Optical-response of very high-density solid oxygen to 132 GPa. J Phys Chem 94:1117-11122.
11. Shimizu K, Suhara K, Ikumo M, Eremets MI, Amaya K (1998) Superconductivity in oxygen. Nature 393:767-769.
12. Neaton JB, Ashcroft NW (2002) Low-energy linear structures in dense oxygen: Implications for the epsilon phase. Phys Rev Lett 88:205503.
13. Militzer B, Hemley RJ (2006) Solid oxygen takes shape. Nature 443:150-151.
14. Hamalainen K, Manninen S (2001) Resonant and non-resonant inelastic x-ray scattering. J Phys Condens Matter 13:7539-7555.
15. 3 bonding in compressed BN. Nat Mater 3:111-114.
16. Mao WL, et al. (2003) Bonding changes in compressed superhard graphite. Science 302:425-427.
17. 3 glasses at high pressure with inelastic x-ray scattering. Nat Mater 4:851-854.
18. 2. J Electron Spectrosc Relat Phenom 18:1-21.
19. 2 on Pt(111). Phys Rev Lett 65:2426-2429.
20. 2: Exchange splitting ultrafast dissociation, and atomiclike Auger spectra. J Chem Phys 100:4087-4092.
21. Ruckman MW, Qiu SL, Chen J, Strongin M (1991) Near-edge study of molecular oxygen and nitrogen clusters on a krypton surface. Phys Rev B 43:8603-8605.
22. Stohr Jet al. (1983) Bonding and bond lengths of chemisorbed molecules from near-edge x-ray-absorption fine-structure studies. Phys Rev Lett 51:2414-2417.
23. - in alkali-metal superoxides. Phys Rev Lett 67:2533-2536.
24. Outka DA, et al. (1987) Orientation and bond length of molecular-oxygen on Ag(110) and Pt(111): A near-edge x-ray-absorption fine-structure study. Phys Rev B 35:4119-4122.
25. Stohr J, Sette F, Johnson AL (1984) Near-edge x-ray-absorption fine-structure studies of chemisorbed hydrocarbons - Bond lengths with a ruler. Phys Rev Lett 53:1684-1687.
26. Bader RFW, Henneker WH, Cade PE (1967) Molecular charge distributions and chemical bonding. J Chem Phys 46:3341-3363.
27. Pauling L (1960) The Nature of the Chemical Bond (Cornell Univ Press, Ithaca, New York).
28. Stohr J (1992) NEXAFS Spectroscopy (Springer, Berlin).
29. Pettersson LGM, Agren H, Vahtras O, Carravetta V (1996) Cluster modeling of core electron photoabsorption of CO absorbed on Cu(100). Surf Sci 365:581-590.
30. 5H] studied by electron energy loss spectroscopy. J Am Chem Soc 111:2614-2622.
31. Liebman JF, Greenberg A (1988) Modern Models of Bonding and Delocalization (VCH, New York).
32. Albright TA, Burdett JK, Whangbo M,H (1985) Orbital Interactions in Chemistry (Wiley, New York).
33. 8 molecules in solid oxygen: rhomboid clusters, not S8-like rings. Angew Chem Int Ed 46:1768-1771.
34. Tse JS, Yao Y, Klug DD, Desgreniers S (2008) Structure and bonding of the high pressure phases of oxygen. J Phys Conference Series, in press.
35. CPMD copyright IBM corporation (1990-2004), copyright MPI fũr Festkorperforchung Stuttgart (1997-2001).
36. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865-3868.
37. Troullier N, Martins JL (1991) Efficient pseudo-potentials for plane-wave calculations. Phys Rev B 43:1993-2006.
38. Slater JC (1974) Quantum theory of molecules and solids (McGraw-Hill, New York).
39. Triguero L, Pettersson LGM (1998) Calculations of near-edge x-ray-absorption spectra of gas phase and chemisorbed molecules by means of density-functional and transition-potential theory. Phys Rev B 58:8097-8110.
40. 4. Phys Rev A 39:1791-1799.
41. Cavalleri M, Odelius M, Nordlund D, Nilsson A, Pettersson LGM (2005) Half or full core hole in density functional theory x-ray absorption spectrum calculations of water? Phys Chem Chem Phys 7:2854.
42. Iannuzzi M, Hutter J (2007) Inner-shell spectroscopy by the Gaussian and augmented plane wave method. Phys Chem Chem Phys 9:1599.