Experimental and theoretical study of the absorption properties of thiolated diamondoids

Journal of Chemical Physics

Volumn 132, Issue 14, 2010, Pages

  Landt, Lasse ^a   Bostedt, Christoph ^a   Wolter, David ^a   Möller, Thomas ^a   Dahl, Jeremy E P ^b   Carlson, Robert M K ^c   Tkachenko, Boryslav A ^d   Fokin, Andrey A ^d   Schreiner, Peter R ^d   Kulesza, Alexander ^e   Mitrić, Roland ^f   Bonačić Kouteck, Vlasta ^e  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b STANFORD UNIVERSITY   (United States)

^c Chevron   (United States)

^d JUSTUS LIEBIG UNIVERSITY   (Germany)

^e HUMBOLDT UNIVERSITY   (Germany)

^f FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO THEORY; ABSORPTION PROPERTY; CRITICAL SIZE; DEEP UV; DIAMONDOIDS; ENERGY TRANSITIONS; EXPERIMENTAL DATA; FUNCTIONALIZATIONS; MATERIALS DESIGN; MOLECULAR AGGREGATE; NANO SCALE; NANOSCALE BUILDING BLOCKS; PHOTOCHEMICAL PROCESS; PHOTOPHYSICAL; SIZE AND SHAPE; THEORETICAL RESULT; THEORETICAL STUDY; THIOLATION; UV LUMINESCENCE; UV PHOTOLUMINESCENCE;

ABSORPTION; ELECTRIC GROUNDING; FUNCTIONAL GROUPS; HYBRID COMPUTERS; HYBRID MATERIALS; HYBRID SYSTEMS; MATERIALS PROPERTIES; NANOSTRUCTURED MATERIALS;

OPTICAL PROPERTIES;

DIAMOND; NANOMATERIAL; THIOL DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; PARTICLE SIZE; QUANTUM THEORY;

COMPUTER SIMULATION; DIAMOND; MODELS, CHEMICAL; NANOSTRUCTURES; PARTICLE SIZE; QUANTUM THEORY; SULFHYDRYL COMPOUNDS;

EID: 77951173495     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3356034     Document Type: Article

References (42)

1. A. P. Marchand, Science 0036-8075 299, 52 (2003). 10.1126/science.1079630 (Pubitemid 36042391)
2. H. Schwertfeger, A. A. Fokin, and P. R. Schreiner, Angew. Chem., Int. Ed. 1433-7851 47, 1022 (2008). 10.1002/anie.200701684 (Pubitemid 351204395)
3. J. E. Dahl, S. G. Liu, and R. M. K. Carlson, Science 0036-8075 299, 96 (2003). 10.1126/science.1078239 (Pubitemid 36042408)
4. H. Hopf, Angew. Chem., Int. Ed. 1433-7851 42, 2000 (2003). 10.1002/anie.200301631 (Pubitemid 36604338)
5. T. M. Willey, C. Bostedt, T. van Buuren, J. E. Dahl, S. G. Liu, R. M. K. Carlson, L. J. Terminello, and T. Möller, Phys. Rev. Lett. 0031-9007 95, 113401 (2005). 10.1103/PhysRevLett.95.113401 (Pubitemid 41505697)
6. T. M. Willey, C. Bostedt, T. van Buuren, J. E. Dahl, S. G. Liu, R. M. K. Carlson, R. W. Meulenberg, E. J. Nelson, and L. J. Terminello, Phys. Rev. B 0163-1829 74, 205432 (2006). 10.1103/PhysRevB.74.205432 (Pubitemid 44833677)
7. K. Lenzke, L. Landt, M. Hoener, H. Thomas, J. E. Dahl, S. G. Liu, R. M. K. Carlson, T. Möller, and C. Bostedt, J. Chem. Phys. 0021-9606 127, 084320 (2007). 10.1063/1.2773725 (Pubitemid 47352532)
8. L. Landt, K. Klünder, J. E. Dahl, R. M. K. Carlson, T. Möller, and C. Bostedt, Phys. Rev. Lett. 0031-9007 103, 047402 (2009). 10.1103/PhysRevLett.103.047402
9. Y. Wang, E. Kioupakis, X. Lu, D. Wegner, R. Yamachika, J. E. Dahl, R. M. K. Carlson, S. G. Louie, and M. F. Crommie, Nat. Mater. 7, 38 (2008). 10.1038/nmat2066 1476-1122
10. N. D. Drummond, Nat. Nanotechnol. 1748-3387 2, 462 (2007). 10.1038/nnano.2007.232 (Pubitemid 47220074)
11. L. Landt, W. Kielich, D. Wolter, M. Staiger, A. Ehresmann, T. Möller, and C. Bostedt, Phys. Rev. B 0163-1829 80, 205323 (2009). 10.1103/PhysRevB.80.205323
12. A. A. Fokin, B. A. Tkachenko, P. A. Gunchenko, D. V. Gusev, and P. R. Schreiner, Chem.-Eur. J. 0947-6539 11, 7091 (2005) 10.1002/chem.200500031; A. A. Fokin, P. A. Gunchenko, A. A. Novikovsky, T. E. Shubina, B. V. Chernyaev, J. E. P. Dahl, R. M. K. Carlson, A. G. Yurchenko, and P. R. Schreiner, Eur. J. Org. Chem. 1434-193X 30, 5153 (2009). 10.1002/ejoc.200900600
13. B. A. Tkachenko, N. A. Fokina, L. V. Chernish, J. E. P. Dahl, S. Liu, R. M. K. Carlson, A. A. Fokin, and P. R. Schreiner, Org. Lett. 1523-7060 8, 1767 (2006). 10.1021/ol053136g (Pubitemid 43692154)
14. P. R. Schreiner, N. A. Fokina, B. A. Tkachenko, H. Hausmann, M. Serafin, J. E. P. Dahl, S. Liu, R. M. K. Carlson, and A. A. Fokin, J. Org. Chem. 0022-3263 71, 6709 (2006). 10.1021/jo052646l (Pubitemid 44645644)
15. W. L. Yang, J. D. Fabbri, T. M. Willey, J. R. I. Lee, J. E. Dahl, R. M. K. Carlson, P. R. Schreiner, A. A. Fokin, B. A. Tkachenko, N. A. Fokina, W. Meevasana, N. Mannella, K. Tanaka, X. J. Zhou, T. van Buuren, M. A. Kelly, Z. Hussain, N. A. Melosh, and Z. -X. Shen, Science 0036-8075 316, 1460 (2007). 10.1126/science.1141811 (Pubitemid 46906608)
16. W. A. Clay, Z. Liu, W. Yang, J. D. Fabbri, J. E. Dahl, R. M. K. Carlson, Y. Sun, P. R. Schreiner, A. A. Fokin, B. A. Tkachenko, N. A. Fokina, P. A. Pianetta, N. Melosh, and Z. -X. Shen, Nano Lett. 1530-6984 9, 57 (2009). 10.1021/nl802310k
17. S. Fujii, U. Akiba, and M. Fujihira, J. Am. Chem. Soc. 0002-7863 124, 13629 (2002). 10.1021/ja026214t (Pubitemid 35285940)
18. T. Kitagawa, Y. Idomoto, H. Matsubara, D. Hobara, T. Kakiuchi, T. Okazaki, and K. Komatsu, J. Org. Chem. 0022-3263 71, 1362 (2006). 10.1021/jo051863j (Pubitemid 43296798)
19. S. Katano, Y. Kim, H. Matsubara, T. Kitagawa, and M. Kawai, J. Am. Chem. Soc. 0002-7863 129, 2511 (2007). 10.1021/ja065893v (Pubitemid 46364057)
20. T. M. Willey, J. D. Fabbri, J. R. I. Lee, P. R. Schreiner, A. A. Fokin, B. A. Tkachenko, N. A. Fokina, J. E. P. Dahl, R. M. K. Carlson, A. L. Vance, W. Yang, L. J. Terminello, T. van Buuren, and N. A. Melosh, J. Am. Chem. Soc. 0002-7863 130, 10536 (2008). 10.1021/ja711131e
21. M. Kim, J. N. Hohman, E. I. Morin, T. A. Daniel, and P. S. Weiss, J. Phys. Chem. A 1089-5639 113, 3895 (2009). 10.1021/jp810048n
22. O. Christiansen, H. Koch, and P. Jørgensen, Chem. Phys. Lett. 0009-2614 243, 409 (1995). 10.1016/0009-2614(95)00841-Q
23. R. Karnbach, M. Joppien, J. Stapelfeldt, J. Wormer, and T. Möller, Rev. Sci. Instrum. 0034-6748 64, 2838 (1993). 10.1063/1.1144371
24. A. D. Becke, Phys. Rev. A 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38. 3098
25. A. D. Becke, J. Chem. Phys. 0021-9606 98, 5648 (1993). 10.1063/1.464913
26. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 37, 785 (1988). 10.1103/PhysRevB.37.785
27. R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 0021-9606 72, 650 (1980). 10.1063/1.438955
28. C. Hättig and F. Weigend, J. Chem. Phys. 0021-9606 113, 5154 (2000). 10.1063/1.1290013
29. C. Hättig and A. Koehn, J. Chem. Phys. 0021-9606 117, 6939 (2002). 10.1063/1.1506918 (Pubitemid 35358839)
30. T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 90, 1007 (1989). 10.1063/1.456153
31. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 98, 1358 (1993). 10.1063/1.464303
32. S) excited state, optimized geometries of thiol functionalized diamondoids as well as vibrational frequencies of thiol functionalized diamondoids.
33. L. B. Clark and W. T. Simpson, J. Chem. Phys. 0021-9606 43, 3666 (1965). 10.1063/1.1696534
34. A. Rauk and S. Collins, J. Mol. Spectrosc. 0022-2852 105, 438 (1984). 10.1016/0022-2852(84)90232-7
35. Y. Bing and P. Shou-Fu, Chin. Phys. B 1674-1056 17, 1501 (2008). 10.1088/1674-1056/17/4/058 (Pubitemid 351571800)
36. G. L. Vaghijani, J. Chem. Phys. 0021-9606 99, 5936 (1993). 10.1063/1.465917
37. J. W. Raymonda, J. Chem. Phys. 0021-9606 56, 3912 (1972). 10.1063/1.1677795
38. Q. Y. Shang and E. R. Bernstein, J. Chem. Phys. 0021-9606 100, 8625 (1994). 10.1063/1.466716
39. N. D. Drummond, A. J. Williamson, R. J. Needs, and G. Galli, Phys. Rev. Lett. 0031-9007 95, 096801 (2005). 10.1103/PhysRevLett.95.096801 (Pubitemid 41505822)
40. L. Landt, M. Staiger, D. Wolter, K. Klünder, P. Zimmermann, T. M. Willey, T. van Buuren, D. Brehmer, P. R. Schreiner, B. A. Tkachenko, A. A. Fokin, T. Möller, and C. Bostedt, J. Chem. Phys. 0021-9606 132, 024710 (2010). 10.1063/1.3280388
41. T. Tabarin, A. Kulesza, R. Antoine, R. Mitrić, M. Broyer, P. Dugourd, and V. Bonačić-Kouteck, Phys. Rev. Lett. 0031-9007 101, 213001 (2008). 10.1103/PhysRevLett.101.213001
42. R. Antoine, F. Bertorelle, M. Broyer, I. Compagnon, P. Dugourd, A. Kulesza, R. Mitrić, and V. Bonačić-Kouteck, Angew. Chem. Int. Ed. 48, 7829 (2009). 10.1002/anie.200902882 1433-7851