From SiO molecules to silicates in circumstellar space: Atomic structures, growth patterns, and optical signatures of SinOm clusters

ACS Nano

Volumn 2, Issue 8, 2008, Pages 1729-1737

  Reber, Arthur C ^a   Paranthaman, Selvarengan ^a   Clayborne, Peneé A ^a   Khanna, Shiv N ^a   Castleman Jr , A Welford ^b  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Interstellar photoluminescence; Silica formation; Silicon oxide nanoparticles; Silicone oxide clusters

Indexed keywords

AGGLOMERATION; NONMETALS; ORGANOCLAY; OXYGEN; SEPARATION; SILICATES; SILICON; SILICON COMPOUNDS;

ATOMIC STRUCTURES; CIRCUMSTELLAR; GROWTH PATTERNS; INTERSTELLAR PHOTOLUMINESCENCE; OPTICAL SIGNATURES; OXYGEN ENRICHMENT; SILICA FORMATION; SILICON OXIDE NANOPARTICLES; SILICONE OXIDE CLUSTERS; SIO MOLECULES;

CRYSTAL ATOMIC STRUCTURE;

NANOMATERIAL; SILICATE; SILICON DIOXIDE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; CRYSTALLIZATION; INFRARED RADIATION; LIGHT; LUMINESCENCE; MACROMOLECULE; MATERIALS TESTING; METHODOLOGY; NANOTECHNOLOGY; PARTICLE SIZE; RADIATION SCATTERING; SURFACE PROPERTY; ULTRASTRUCTURE;

COMPUTER SIMULATION; CRYSTALLIZATION; INFRARED RAYS; LIGHT; LUMINESCENT MEASUREMENTS; MACROMOLECULAR SUBSTANCES; MATERIALS TESTING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOSTRUCTURES; NANOTECHNOLOGY; PARTICLE SIZE; SCATTERING, RADIATION; SILICATES; SILICON DIOXIDE; SURFACE PROPERTIES;

EID: 51849087314     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn7003958     Document Type: Article

References (47)

1. Speck, A. K.; Barlow, M. J.; Sylvester, R. J.; Hofmeister, A. M. Dust Features in the 10-μm Infrared Spectra of Oxygen-Rich Evolved Stars. Astron. Astrophys. Suppl. Ser. 2000, 146, 437-464.
2. Henning, T. H. In Solid Interstellar Matter: The ISO Revolution; D'Hendecourt, L., Joblin, C., Jones, A., Eds.; Springer: Berlin, 1999; pp 247-262.
3. Gordon, K. D.; Witt, A. N.; Friedman, D. G. Detection of Extended Red Emission in the Diffuse Interstellar Medium. Astrophys. J. 1998, 498, 522-540.
4. Sandford, S. A. The Inventory of Interstellar Materials Available for the Formation of the Solar System. Meteorit. Planet. Sci. 1996, 31, 449-476.
5. Steel, T. M.; Duley, W. W. A 217.5 Nanometer Absorption Feature in the Spectrum of Small Silicate Particles. Astrophys. J. 1987, 315, 337-339.
6. Martin-Pintado, J.; Bachiller, R.; Fuente, A. SiO Emission as a Tracer of Shocked Gas in Molecular Outflows. Astron. Astrophys. 1992, 254, 315-326.
7. Reber, A. C.; Clayborne, P. A.; Reveles, J. U.; Khanna, S. N.; Castleman, A. W., Jr.; Ali, A. Silicon Oxide Nanoparticles Reveal the Origin of Silicate Grains in Circumstellar Environments. Nano Lett. 2006, 6, 1190-1195.
8. Witt, A. N.; Gordon, K. D.; Furton, D. G. Silicon Nanoparticles: Source of Extended Red Emission. Astrophys. J. 1998, 501, L111-L115.
9. Nuth, J. A.; Donn, B. Experimental Studies of Vapor Phase Nucleation of Refractory Compounds. II. The Condensation of an Amorphous Magnesium Silicate. J. Chem. Phys. 1983, 78, 1618-1620.
10. Donn, B.; Nuth, J. A. Does Nucleation Theory Apply to the Formation of Refractory Circumstellar Grains. Astrophys. J. 1985, 288, 187-190.
11. Bradley, J.; Dai, Z. R.; Erni, R.; Browning, N.; Graham, G.; Weber, P.; Smith, J.; Hutcheon, I.; Ishii, H.; Bajt, S.; et al. An Astronomical 2175 Å Feature in Interplanetary Dust Particles. Science 2005, 307, 244-247.
12. Gail, H.-P.; Sedlmayr, E. The Primary Condensation Process for Dust Around Late M-Type Stars. Astron. Astrophys. 1986, 166, 225-236.
13. Zubko, V. G.; Smith, T. L.; Witt, A. N. Silicon Nanoparticles and Interstellar Extinction. Astrophys. J. 1999, 511, L57-L60.
14. Ho, K. M.; Shvartsburg, A. A.; Pan, B.; Lu, Z. Y.; Wang, C. Z.; Wacker, J. G.; Fye, J. G.; Jarrold, M. F. Structures of Medium-Sized Silicon Clusters. Nature 1998, 392, 582-585.
15. Wang, H.; Sun, J.; Lu, W. C.; Li, Z. S.; Sun, C. C.; Wang, C. Z.; Ho, K. M. New Motif of Silicon Segregation in Silicon Monoxide Clusters. J. Phys. Chem. C 2008, 112, 7097-7101.
16. Reber, A. C.; Khanna, S. N., Hunjan, J. S., Beltran, M. R. Cobalt Doped Rings and Cages of ZnO Clusters: Motifs for Magnetic Cluster-Assembled Materials. Chem. Phys. Lett. 2006, 428, 376-380.
17. Reber, A. C.; Khanna, S. N.; Castleman, A. W., Jr. Superatom Compounds and Assemblies: Ultra Alkali Motifs and Architectures. J. Am. Chem. Soc. 2007, 129, 10189-10194.
18. Marcus, R. A. Mass-Independent Isotope Effect in the Earliest Processed Solids in the Solar System: A Possible Chemical Mechanism. J. Chem. Phys. 2004, 121, 8201-8211.
19. 2 Spherical and Elongated Nanocages. Nano Lett. 2004, 4, 1427-1432.
20. m Clusters. J. Chem. Phys. 1998, 109, 1245-1250.
21. Chu, T. S.; Zhang, R. Q.; Cheung, H. F. Geometric and Electronic Structures of Silicon Oxide Clusters. J. Phys. Chem. B 2001, 105, 1705-1709.
22. Zhang, R. Q.; Zhao, M. W.; Lee, S. T. Silicon Monoxide Clusters: The Favorable Precursors for Forming Silicon Nanostructures. Phys, Rev. Lett. 2004, 93, 095503.
23. n= 1 - 12. J. Phys. Chem. A 2006, 110, 8151-8157.
24. 7 Clusters. Chem. Phys. Lett. 2006, 430, 1-7.
25. Ali, A.; Nuth, J. A. The Oxygen Isotope Effect in the Earliest Processed Solids in the Solar System: Is it a Chemical Mass-independent Process. Astron. Astrophys. 2007, 467, 919-923.
26. Vijh, U. P. Blue Luminescence and the Presence of Small Polycyclic Aromatic Hydrocarbons in the Interstellar Medium. Astrophys. J. 2005, 633, 262-271.
27. Stecher, T. P. Interstellar Extinction in the Ultraviolet. II. Astrophys. J. 1969, 157, L125.
28. Fitzpatrick, E. L. Interstellar Extinction in the Milky Way Galaxy In Astrophysics of Dust, Witt, A. N., Clayton, G. C., Draine, B. T., Eds.; ASP Conference Series, 2004, 309, 33-56.
29. Li, A.; Draine, B. T. Infrared Emission from Interstellar Dust. II. The Diffuse Interstellar Medium. Astrophys. J. 2001, 554, 778-802.
30. Li, A.; Draine, B. T. Are Silicon Nanoparticles an Interstellar Dust Component. Astrophys. J. 2002, 564, 803-812.
31. Castleman, A. W., Jr.; Wei, S. Cluster Reactions. Annu. Rev. Phys. Chem. 1994, 45, 685-719.
32. Kooi, S. E.; Leskiw, B. D.; Castleman, A. W., Jr. Relaxation Dynamics of Electronically Excited Nanoscale Metal-Carbon Complexes: Vanadium-Carbon Clusters. Nano Lett. 2001, 1, 113-116.
33. Torres, R.; Martin, M. Laser Ablation and Time-of-Flight Mass-Spectrometric Study of SiO. Appl. Surf. Sci. 2002, 193, 149-155.
34. Pearson, R. G. Absolute Electronegativity and Hardness Correlated with Molecular Orbital Theory. Proc. Natl. Acad. Sci. U.S.A. 1986, 83, 8440-8441.
35. 2. J. Am. Chem. Soc. 2007, 129, 16098-16101.
36. Castleman, A. W., Jr.; Khanna, S. N.; Sen, A.; Reber, A. C.; Qian, M.; Davis, K. M.; Peppernick, S. J.; Ugrinov, A.; Merritt, M. D. From Designer Clusters to Synthetic Crystalline Nanoassembles. Nano Lett. 2007, 7, 2734-2741.
37. -. Astrophys. Lett. 2006, 652, L141-L144.
38. Garand, E.; Goebbert, D.; Santambrogio, G.; Janssens, E.; Lievens, P.; Meijer, G.; Neumark, D. M.; Asmis, K. R. Vibrational Spectra of Small Silicon Monoxide Cluster Cations Measured by Infrared Multiple Photon Dissociation Spectroscopy. Phys. Chem. Chem. Phys. 2008, 10, 1502-1506.
39. Kohn, R. W.; Sham, L. J. Self Consistent Equations Including Exchange and Correlation Effects. Phys. Rev. 1965, 140, A1133-A1138.
40. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 1996, 77, 3865-3868.
41. Koster, A. M.; Calaminici, P.; Flores, R.; Geudtner, G.; Goursot, A.; Heine, T.; Janetzko, F.; Patchkovskii, S.; Reveles, J. U.; Vela, A. deMon, http://www.deMon-software.com.
42. Köster, A. M.; Reveles, J. U.; del Campo, J. M. Calculation of Exchange-Correlation Potentials with Auxiliary Function Densities. J. Chem. Phys. 2004, 121, 3417-3424.
43. Köster, A. M.; Flores-Moreno, R.; Reveles, J. U. Efficient and Reliable Numerical Integration of Exchange-Correlation Energies and Potentials. J. Chem. Phys. 2004, 121, 681-690.
44. Reveles, J. U.; Köster, A. M. Geometry Optimization in Density Functional Methods. J. Comput. Chem. 2004, 25, 1109-1116.
45. ADF2006.01d, SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands; http://www.scm.com.
46. Guerra, C. F.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Towards an Order-N DFT Method. Theor. Chem. Acc. 1998, 99, 391-403.
47. te Velde, G.; Bickelhaupt, F. M.; van Gisbergen, S. J. A.; Guerra, C. F.; Baerends, E. J.; Snijders, J. G.; Ziegler, T. Chemistry with ADF. J. Comput. Chem. 2001, 22, 931-967.