Photoelectron spectroscopy and density functional calculations of Fen BO 2- clusters

Journal of Chemical Physics

Volumn 132, Issue 7, 2010, Pages

  Feng, Yuan ^a   Xu, Hong Guang ^a   Zhang, Zeng Guang ^a   Gao, Zhen ^a   Zheng, Weijun ^a  

^a INSTITUTE OF CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY-FUNCTIONAL CALCULATIONS; DETACHMENT ENERGY; HIGHEST OCCUPIED MOLECULAR ORBITAL; LINEAR STRUCTURES; PHOTOELECTRON SPECTRUM; THEORETICAL CALCULATIONS; VERTICAL DETACHMENT ENERGIES;

CHEMICAL BONDS; MASS SPECTROMETRY; MOLECULAR MODELING; MOLECULAR ORBITALS; PHOTOELECTRICITY; PHOTOIONIZATION; PHOTONS; WETLANDS;

PHOTOELECTRON SPECTROSCOPY;

EID: 77149122403     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3299290     Document Type: Article

References (60)

1. A. P. Sergeeva, D. Y. Zubarev, H. J. Zhai, A. I. Boldyrev, and L. S. Wang, J. Am. Chem. Soc. JACSAT 0002-7863 130, 7244 (2008). 10.1021/ja802494z (Pubitemid 351813213)
2. A. N. Alexandrova, A. I. Boldyrev, H. -J. Zhai, and L. -S. Wang, J. Phys. Chem. A JPCAFH 1089-5639 108, 3509 (2004). 10.1021/jp037341u
3. B. Kiran, S. Bulusu, H. J. Zhai, S. Yoo, X. C. Zeng, and L. S. Wang, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 102, 961 (2005). 10.1073/pnas.0408132102 (Pubitemid 40170707)
4. A. K. Ray, I. A. Howard, and K. M. Kanal, Phys. Rev. B PRBMDO 0163-1829 45, 14247 (1992). 10.1103/PhysRevB.45.14247
5. S. H. Bauer, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 96, 1907 (1996). 10.1021/cr941034q
6. I. Boustani, Phys. Rev. B PRBMDO 0163-1829 55, 16426 (1997). 10.1103/PhysRevB.55.16426
7. L. M. Yang, N. Wang, Y. H. Ding, and C. C. Sun, J. Phys. Chem. A JPCAFH 1089-5639 111, 9122 (2007). 10.1021/jp074645y (Pubitemid 47522565)
8. M. L. Drummond, V. Meunier, and B. G. Sumpter, J. Phys. Chem. A JPCAFH 1089-5639 111, 6539 (2007). 10.1021/jp0726182 (Pubitemid 47184358)
9. W. Z. Yao, J. C. Guo, H. G. Lu, and S. D. Lit, J. Phys. Chem. A JPCAFH 1089-5639 113, 2561 (2009). 10.1021/jp809463j
10. J. P. Goss and P. R. Briddon, Phys. Rev. B PRBMDO 0163-1829 73, 085204 (2006). 10.1103/PhysRevB.73.085204 (Pubitemid 43276846)
11. Y. Zhou and J. Zhi, Talanta TLNTA2 0039-9140 79, 1189 (2009). 10.1016/j.talanta.2009.05.026
12. D. B. Luo, L. Z. Wu, and J. F. Zhi, ACS Nano ANCAC3 1936-0851 3, 2121 (2009). 10.1021/nn9003154
13. T. Hasegawa, Y. Ide, T. Nagatomo, T. Otagiri, R. Ide, and T. Odagiri, Patent Nos. WO2009041166-A1 and JP2009088089-A (2 April 2009).
14. Y. L. Rao and S. N. Wang, Inorg. Chem. INOCAJ 0020-1669 48, 7698 (2009). 10.1021/ic9007069
15. G. Q. Li, Appl. Phys. Lett. APPLAB 0003-6951 94, 3 (2009).
16. Y. Cui, F. H. Li, Z. H. Lu, and S. N. Wang, Dalton Trans. DTARAF 1477-9226 25, 2634 (2007). 10.1039/b703366d (Pubitemid 350092053)
17. S. D. Li, H. J. Zhai, and L. S. Wang, J. Am. Chem. Soc. JACSAT 0002-7863 130, 2573 (2008). 10.1021/ja0771080 (Pubitemid 351304772)
18. H. J. Zhai, S. D. Li, and L. S. Wang, J. Am. Chem. Soc. JACSAT 0002-7863 129, 9254 (2007). 10.1021/ja072611y (Pubitemid 47218772)
19. T. B. Tai and M. T. Nguyen, Chem. Phys. Lett. CHPLBC 0009-2614 483, 35 (2009). 10.1016/j.cplett.2009.10.054
20. M. T. Nguyen, M. H. Matus, V. T. Ngan, D. J. Grant, and D. A. Dixon, J. Phys. Chem. A JPCAFH 1089-5639 113, 4895 (2009). 10.1021/jp811391v
21. H. T. Gao, G. H. Wu, W. J. Ding, and Y. P. Zhu, Foundry 53, 797 (2004).
22. H. T. Cai and J. L. Zhang, Iron and Steel 43, 31 (2008).
23. J. V. Ortiz, J. Phys. Chem. A JPCAFH 1089-5639 99, 6727 (1993).
24. A. Sommer, M. J. Linevsky, D. E. Mann, and D. White, J. Chem. Phys. JCPSA6 0021-9606 38, 87 (1963). 10.1063/1.1733501
25. D. E. Jensen, J. Chem. Phys. JCPSA6 0021-9606 52, 3305 (1970). 10.1063/1.1673481
26. T. R. Burkholder and L. Andrews, J. Chem. Phys. JCPSA6 0021-9606 95, 8697 (1991). 10.1063/1.461814
27. V. G. Zakrzewski and A. I. Boldyrev, J. Chem. Phys. JCPSA6 0021-9606 93, 657 (1990). 10.1063/1.459513
28. J. R. Chow, R. A. Beaudet, W. Schulz, K. Weyer, and H. Walther, Chem. Phys. CMPHC2 0301-0104 140, 307 (1990). 10.1016/0301-0104(90)87011-Y
29. A. G. Maki, J. B. Burkholder, A. Sinha, and C. J. Howard, J. Mol. Spectrosc. JMOSA3 0022-2852 130, 238 (1988). 10.1016/0022-2852(88)90297-4
30. K. Kawaguchi and E. Hirota, J. Mol. Spectrosc. JMOSA3 0022-2852 116, 450 (1986). 10.1016/0022-2852(86)90139-6
31. P. Császár, W. Kosmus, and Y. N. Panchenko, Chem. Phys. Lett. CHPLBC 0009-2614 129, 282 (1986). 10.1016/0009-2614(86)80212-3
32. V. Saraswathy, J. J. Diamond, and G. A. Segal, J. Phys. Chem. JPCHAX 0022-3654 87, 718 (1983). 10.1021/j100228a002
33. K. G. Weyer, R. A. Beaudet, R. Straubinger, and H. Walther, Chem. Phys. CMPHC2 0301-0104 47, 171 (1980). 10.1016/0301-0104(80)85004-X
34. M. A. A. Clyne and M. C. Heaven, Chem. Phys. CMPHC2 0301-0104 51, 299 (1980). 10.1016/0301-0104(80)80104-2
35. R. S. Lowe, H. Gerhardt, W. Dillenschneider, R. F. Curl, and F. K. Tittel, J. Chem. Phys. JCPSA6 0021-9606 70, 42 (1979). 10.1063/1.437207
36. A. Fried and C. W. Mathews, Chem. Phys. Lett. CHPLBC 0009-2614 52, 363 (1977). 10.1016/0009-2614(77)80560-5
37. R. N. Dixon, D. Field, and M. Noble, Chem. Phys. Lett. CHPLBC 0009-2614 50, 1 (1977). 10.1016/0009-2614(77)80667-2
38. D. K. Russell, M. Kroll, D. A. Dows, and R. A. Beaudet, Chem. Phys. Lett. CHPLBC 0009-2614 20, 153 (1973). 10.1016/0009-2614(73)85243-1
39. J. V. Ortiz, J. Chem. Phys. JCPSA6 0021-9606 99, 6727 (1993). 10.1063/1.465815
40. J. Agreiter, M. Lorenz, A. M. Smith, and V. E. Bondybey, Chem. Phys. CMPHC2 0301-0104 224, 301 (1997). 10.1016/S0301-0104(97)00270-X (Pubitemid 128013958)
41. H. J. Zhai, L. M. Wang, S. D. Li, and L. S. Wang, J. Phys. Chem. A JPCAFH 1089-5639 111, 1030 (2007). 10.1021/jp0666939 (Pubitemid 46339030)
42. G. L. Gutsev and A. I. Boldyrev, Chem. Phys. CMPHC2 0301-0104 56, 277 (1981). 10.1016/0301-0104(81)80150-4
43. C. George, F. Mayne, and I. Prigogine, Adv. Chem. Phys. ADCPAA 0065-2385 61, 223 (1985). 10.1002/9780470142851.ch4
44. H. -G. Xu, Z. -G. Zhang, Y. Feng, J. Yuan, Y. Zhao, and W. Zheng, Chem. Phys. Lett. CHPLBC 0009-2614 487, 204 (2010). 10.1016/j.cplett.2010.01.050
45. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN03, Revision B.04, Gaussian, Inc., Pittsburgh, PA, 2003.
46. M. N. Glukhovtsev, R. D. Bach, and C. J. Nagel, J. Phys. Chem. A JPCAFH 1089-5639 101, 316 (1997). 10.1021/jp962535d
47. Fen BO 2- (n=1-5) clusters.
48. D. G. Leopold and W. C. Lineberger, J. Chem. Phys. JCPSA6 0021-9606 85, 51 (1986). 10.1063/1.451630
49. L. S. Wang, H. S. Cheng, and J. W. Fan, J. Chem. Phys. JCPSA6 0021-9606 102, 9480 (1995). 10.1063/1.468817
50. M. Castro and D. R. Salahub, Phys. Rev. B PRBMDO 0163-1829 47, 10955 (1993). 10.1103/PhysRevB.47.10955
51. P. J. Hodges, J. M. Brown, and S. H. Ashworth, J. Mol. Spectrosc. JMOSA3 0022-2852 237, 205 (2006). 10.1016/j.jms.2006.03.014 (Pubitemid 43831075)
52. M. Hargittai, N. Y. Subbotina, and M. Kolonits, J. Chem. Phys. JCPSA6 0021-9606 94, 7278 (1991). 10.1063/1.460212
53. P. A. Montano and G. K. Shenoy, Solid State Commun. SSCOA4 0038-1098 35, 53 (1980). 10.1016/0038-1098(80)90769-3 (Pubitemid 11441381)
54. H. Purdum, P. A. Montano, G. K. Shenoy, and T. Morrison, Phys. Rev. B PRBMDO 0163-1829 25, 4412 (1982). 10.1103/PhysRevB.25.4412
55. R. W. G. Wyckoff, Crystal Structures, 2nd ed. (Interscience, New York, 1963).
56. S. Q. Yu, S. G. Chen, W. W. Zhang, L. H. Yu, and Y. S. Yin, Chem. Phys. Lett. CHPLBC 0009-2614 446, 217 (2007). 10.1016/j.cplett.2007.08.035 (Pubitemid 47379653)
57. S. Li, M. M. G. Alemany, and J. R. Chelikowsky, Phys. Rev. B PRBMDO 0163-1829 73, 233404 (2006). 10.1103/PhysRevB.73.233404 (Pubitemid 44943446)
58. C. Kohler, G. Seifert, and T. Frauenheim, Chem. Phys. CMPHC2 0301-0104 309, 23 (2005). 10.1016/j.chemphys.2004.03.034
59. G. L. Gutsev and C. W. Bauschlicher, J. Phys. Chem. A JPCAFH 1089-5639 107, 7013 (2003). 10.1021/jp030288p
60. P. C. Engelking and W. C. Lineberger, Phys. Rev. A PLRAAN 1050-2947 19, 149 (1979). 10.1103/PhysRevA.19.149