Geometries and electronic structures of metastable C2N4 and its ions

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 67, Issue 3-4, 2007, Pages 756-761

  Zhu, Xiaolei ^a,b   Lu, Xiaohua ^a   Feng, Xin ^a  

^a NANJING TECH UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

Author keywords

Anion photoelectron spectrum; Carbon nitride cluster; Electronic state

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; ELECTRONIC STATES; ELECTRONIC STRUCTURE; IONIZATION; IONS; METASTABLE PHASES;

ANION PHOTOELECTRON SPECTRUM; CARBON NITRIDE CLUSTER; MULLIKEN POPULATIONS;

NITROGEN COMPOUNDS;

CARBON; ION; NITROGEN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTRON; SPECTROSCOPY;

CARBON; ELECTRONS; IONS; MODELS, CHEMICAL; NITROGEN; SPECTRUM ANALYSIS;

EID: 34249319791     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.07.055     Document Type: Article

References (36)

1. Raghavachari K., and Rohlfing C.M. Chem. Phys. Lett. 198 (1992) 521
2. Ho K.-M., et al. Nature 392 (1998) 582
3. Yoo S., Zeng X., Zhu X., and Bai J. J. Am. Chem. Soc. 125 (2003) 13316
4. Zhu X.L., and Zeng X.C. J. Chem. Phys. 118 (2003) 3558
5. Zhu X.L., Zeng X.C., Lei Y.A., and Pan B. J. Chem. Phys. 120 (2004) 8985
6. Yoo S., Zhao J.J., Wang J.L., and Zeng X.C. J. Am. Chem. Soc. 126 (2004) 13845
7. Yoo S., and Zeng X.C. Angrew. Chem. Int. Ed. 44 (2005) 1491
8. Bai J., Cui L.F., Wang J.L., Yoo S., Li X., Jellinek J., Koehler C., Frauenheim T., Wang L.-S., and Zeng X.C. J. Phys. Chem. A 110 (2006) 908
9. Asmis K.R., Taylor T.R., and Neumark D.M. Chem. Phys. Lett. 308 (1999) 347
10. Taylor T.R., Gomez H., Asmis K.R., and Neumark D.M. J. Chem. Phys. 115 (2001) 4620
11. Feng P.Y., and Balasubramanian K. Chem. Phys. Lett. 295 (1997) 547
12. Balasubramanian K., and XiaoLei Zhu. J. Chem. Phys. 115 (2001) 8858
13. Majumdar D., Roszak S., and Balasubarmanian K. J. Chem. Phys. 118 (2003) 130
14. Zhao C., and Balasubramanian K. J. Chem. Phys. 120 (2004) 10501
15. Wang J.L., Yang M.L., Wang G.H., and Zhao J.J. Chem. Phys. Lett. 367 (2003) 448
16. Ge M., Feng J., Huang X., Yang C., and Sun C. Chem. Phys. Lett. 264 (1997) 139
17. Zhang B., Cai Y., Mu X., Lou N., and Wang X. Chem. Phys. 267 (2002) 277
18. Zhang C., Xu X., Wu H., and Zhang Q. Chem. Phys. Lett. 364 (2002) 213
19. Zhu X. J. Mol. Struct. (Theochem.) 638 (2003) 99
20. Zhu X., and Zhou Z. J. Mol. Struct. (Theochem.) 671 (2004) 105
21. Zhu X. Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 61 (2005) 2730
22. Zhu X. Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 62 (2005) 596
23. Liu A.Y., and Cohen M.L. Science 245 (1989) 841
24. Fang P.H. J. Mater. Sci. Lett. 14 (1995) 536
25. Robert W.C. Nature 380 (1996) 104
26. Wang E.G. Prog. Mater. Sci. 41 (1997) 241
27. Muhl S., and Mendez J.M. Diamond Relat. Mater. 8 (1999) 1809
28. Miller D.R., Swenson D.C., and Gillan E.G. J. Am. Chem. Soc. (Communication) 126 (2004) 5372
29. Ito H., Hori K., and Saitoh H. J. Non-Cryst. Solids 352 (2006) 1
30. Balasubramanian K. Relativistive Effects in Chemistry (1997), Wiley-Interscience, New York
31. Hurley M.M., Luis, Pacios F., and Christianson P.A. J. Chem. Phys. 84 (1986) 6840
32. LaJohn L.A., and Christianson P.A. J. Chem. Phys. 87 (1987) 2812
33. Hurley M., Pacios L.F., Christiansen P.A., Ross R.B., and Ermler W.C. J. Chem. Phys. 84 (1986) 6840
34. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L., Dupuis M., and Montgomery J.A. J. Comput. Chem. 14 (1993) 1347
35. Gaussian 94 (Revision D.1), M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski et al., 1995.
36. Vasiliev I., Ogut S., and Chelikowsky J.R. Phys. Rev. Lett. 78 (1997) 4805