Sandwich complexes of the P42 - aromatic ring with the first row transition metal

Journal of Molecular Structure: THEOCHEM

Volumn 810, Issue 1-3, 2007, Pages 1-6

  Li, Zhiwei ^a   Zhao, Cunyuan ^a   Chen, Liuping ^a  

^a SUN YAT SEN UNIVERSITY   (China)

Author keywords

Aromaticity; DFT calculation; Nucleus independent chemical shifts (NICS); P42 dianion

Indexed keywords

EID: 34247141913     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.01.032     Document Type: Article

References (53)

1. Scherer O.J. Angew. Chem., Int. Ed. Engl. 29 (1990) 1104
2. Whitmire K.H. Adv. Organomet. Chem. 42 (1998) 1
3. Scherer O.J. Acc. Chem. Res. 32 (1999) 751
4. Scherer O.J., and Bruck T. Angew. Chem., Int. Ed. Engl. 26 (1987) 59
5. Baudler M., Duster D., and Ouzounis D.Z. Anorg. Allg. Chem. 544 (1987) 87
6. Baudler M., Akpapoglou S., Ouzounis D., Wasgestian F., Meinigke B., Budzikiewicz H., and Münster H. Angew. Chem., Int. Ed. Engl. 27 (1988) 280
7. Baudler M., and Etzbach T. Chem. Ber. 124 (1991) 1159
8. Zhai H.J., Wang L.S., Kuznetsov A.E., and Boldyrev A.I. J. Phys. Chem. A 106 (2002) 5600
9. Scherer O.J., Brück T., and Wolmershäuser G. Chem. Ber. 121 (1988) 935
10. Rink B., Scherer O.J., and Wolmershäuser G. Chem. Ber. 128 (1995) 71
11. Baudler M., Akpapoglou S., Ouzounis D., Wasgetian F., Meinigke B., Budzikiewicz H., and Munster H. Angew. Chem., Int. Ed. Engl. 27 (1988) 280
12. Urnezius E., Brennessel W.W., Cramer C.J., Ellis J.E., and Schleyer P.V.R. Science 295 (2002) 832
13. Kealy T.J., and Pauson P.L. Nature 168 (1951) 1039
14. Frison G., Mathey F., and Sevin A. J. Phys. Chem. A. 106 (2002) 5653
15. Frunzke J., Lein M., and Frenking G. Organometallics 21 (2002) 3351
16. Lein M., Frunzke J., and Frenking G. Inorg. Chem. 42 (2003) 2504
17. Lein M., Frunzke J., Timoshkin A., and Frenking G. Chem. Eur. J. 7 (2001) 4155
18. Gagliardi L., and Pyykkö P. J. Phys. Chem. A 106 (2002) 4690
19. Malar E.J.P. Inorg. Chem. 42 (2003) 3873
20. Malar E.J.P. Eur. J. Inorg. Chem. (2004) 2723
21. Malar E.J.P. Theor. Chem. Acc. 114 (2005) 213
22. Wang D., Xiao C.L., and Xu W.G. J. Mol. Struct. (Theochem) 759 (2006) 225
23. Kraus F., and Korber N. Chem. Eur. J. 11 (2005) 5945
24. Liu Z.Z., Tian W.Q., Feng J.K., Zhang G., and Li W.Q. J. Phys. Chem. A 109 (2005) 5645
25. Jin Q., Jin B., Xu W.G., and Zhu W. J. Mol. Struct. (Theochem.) 713 (2005) 113
26. Kraus F., Aschenbrenner J.C., and Korber N. Angew. Chem., Int. Ed. 42 (2003) 4030
27. Kraus F., and Korber N. Chem. Eur. J. 11 (2005) 5945
28. Kraus F., Hanauer T., and Korber N. Inorg. Chem. 45 (2006) 1117
29. Seppelt K. Chemtracts 17 (2004) 46
30. Kuznetsov A.E., Zhai H.J., Wang L.S., and Boldyrev A.I. Inorg. Chem. 41 (2002) 6062
31. Cuthbertson A.F., and Glidewell C. Inorg. Chim. Acta 49 (1981) 91
32. Ogurtsov I.Y., and Mirzac V. Adv. Quantum Chem. 44 (2003) 401
33. Jin Q., Jin B., and Xu W.G. Chem. Phys. Lett. 396 (2004) 398
34. Scherer O.J., Swarowsky M., and Wolmershauser G. Angew. Chem., Int. Ed. Engl. 27 (1988) 406
35. Scherer O.J., Swarowsky M., Swarowsky H., and Wolmershauser G. Angew. Chem., Int. Ed. Engl. 27 (1988) 694
36. Scherer O.J., Vondung J., and Wolmershauser G. Angew. Chem., Int. Ed. Engl. 28 (1989) 1355
37. Scherer O.J. Angew. Chem., Int. Ed. 39 (2000) 1029
38. Scheer M., Herrmann E., Sieler J., and Oehme M. Angew. Chem. Int., Ed. Engl. 30 (1991) 969
39. Scheer M., Troitzsch C., and Jones P.G. Angew. Chem., Int. Ed. Engl. 31 (1992) 1377
40. Scheer M., and Becker U. J. Organomet. Chem. 546 (1997) 451
41. Vaira M.D., Ehses M.P., Peruzzini M., and Stoppioni P. Eur. J. Inorg. Chem. (2000) 2193
42. Yi M., Fisher K., and Dance I. New J. Chem. 25 (2001) 73
43. Schleyer P.V.R., Maerker C., Dransfeld A., Jiao H., and Hommes N.J.R.V.E. J. Am. Chem. Soc. 118 (1996) 6317
44. Chen Z., Wannere C.S., Corminboeuf C., Puchta R., and Schleyer P.V.R. Chem. Rev. 105 (2005) 3842
45. Becke A.D. J. Chem. Phys. 98 (1993) 5648
46. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
47. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
48. Perdew J.P., and Wang Y. Phys. Rev. B 45 (1992) 13244
49. Wolinski K., Hilton J.F., and Pulay P. J. Am. Chem. Soc. 112 (1990) 8251
50. Schreckenbach G., and Ziegler T. J. Phys. Chem. 99 (1995) 606
51. M.J. Frisch et al., Gaussian 03, Revision D.01, Gaussian Inc., Wallingford CT, 2004.
52. NBO 5, G.E.D. Glendening, J.K. Badenhoop, A.E. Reed, J.E. Carpenter, J.A. Bohmann, C.M. Morales, F. Weinhold, Theoretical Chemistry Institute, University of Wisconsin, Madison, WI, 2001, .
53. Mercero J.M., Matxain J.M., and Ugalde J.M. Angew. Chem., Int. Ed. 43 (2004) 5485