SCOPUS 정보 검색 플랫폼

Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica

Volumn 26, Issue 9, 2010, Pages 2535-2542

Density functional theory study on N-O bond dissociation enthalpies

(3) Zheng, Wen Rui a Xu, Jing Li a Xiong, Rui a

a SHANGHAI UNIVERSITY OF ENGINEERING SCIENCE (China)

Author keywords

Bond dissociation enthalpy; Density functional theory; N O bond; Natural bond orbital analysis

Indexed keywords

EID: 77957977570 PISSN: 10006818 EISSN: None Source Type: Journal
DOI: None Document Type: Article

Times cited : (5)

References (50)

1
- 0041689437
- Berkowitz, J.; Ellison, G. B.; Gutman, D. J. Phys. Chem., 1994, 98: 2744
- (2744) Phys. Chem , vol.1994 , pp. 98
- Berkowitz, J.¹ Ellison, G.B.² Gutman, D.J.³

2
- 0037450133
- Zhu, X. Q.; Li, H. R.; Ai, T.; Lu, J. Y.; Yang, Y.; Cheng, J. P. Chem.-Eur. J., 2003, 9: 871
- (2003) Chem.-Eur. J , vol.9 , pp. 871
- Zhu, X.Q.¹ Li, H.R.² Ai, T.³ Lu, J.Y.⁴ Yang, Y.⁵ Cheng, J.P.⁶

3
- 0346741829
- Bordwell, F. H.; Zhang, X. M. Acc. Chem. Res., 1993, 26: 510
- (1993) Acc. Chem. Res , vol.26 , pp. 510
- Bordwell, F.H.¹ Zhang, X.M.²

4
- 0032942428
- Larhoven, L. J. J.; Mulder, P.; Wayner, D. D. M. Acc. Chem. Res., 1999, 32: 342
- (1999) Acc. Chem. Res , vol.32 , pp. 342
- Larhoven, L.J.J.¹ Mulder, P.² Wayner, D.D.M.³

5
- 0037062870
- Sun, Y. M.; Zhang, H. Y.; Chen, D. Z.; Liu, C. B. Org. Lett., 2002, 4: 2909
- (2909) Org. Lett , vol.2002 , pp. 4
- Sun, Y.M.¹ Zhang, H.Y.² Chen, D.Z.³ Liu, C.B.⁴

6
- 0141545082
- Wang, L. F.; Zhang, H. Y. Bioorg. Med. Chem. Lett., 2003, 13: 3789
- (2003) Bioorg. Med. Chem. Lett , vol.13 , pp. 3789
- Wang, L.F.¹ Zhang, H.Y.²

7
- 0345566320
- Yao, X. Q.; Hou, X. J.; Jiao, H.; Xiang, H. M.; Li, Y. W. J. Phys. Chem. A, 2003, 107: 9991
- (2003) Phys. Chem. A , vol.107 , pp. 9991
- Yao, X.Q.¹ Hou, X.J.² Jiao, H.³ Xiang, H.M.⁴ Li, Y.W.J.⁵

8
- 0038634619
- Turecek, F. J. Am. Chem. Soc., 2003, 125: 5954
- (2003) Am. Chem. Soc , vol.125 , pp. 5954
- Turecek, F.J.¹

9
- 84962368279
- Shen, L.; Zhang, H. Y.; Ji, H. F. Org. Lett., 2005, 7: 243
- (2005) Org. Lett , vol.7 , pp. 243
- Shen, L.¹ Zhang, H.Y.² Ji, H.F.³

10
- 0344686473
- Feng, Y.; Liu, L.; Wang, J. T.; Huang, H.; Guo, Q. X. J. Chem. Inf. Comput. Sci., 2003, 43: 2005
- (2005) J. Chem. Inf. Comput. Sci , vol.2003 , pp. 43
- Feng, Y.¹ Liu, L.² Wang, J.T.³ Huang, H.⁴ Guo, Q.X.⁵

11
- 47249130876
- Qi, X. J.; Li, Z.; Fu, Y.; Guo, Q. X.; Liu, L. Organometallics, 2008, 27: 2688
- (2688) Organometallics , vol.2008 , pp. 27
- Qi, X.J.¹ Li, Z.² Fu, Y.³ Guo, Q.X.⁴ Liu, L.⁵

12
- 0035850379
- Henry, D. J.; Parkinson, C. J.; Mayer, P. M.; Radom, L. J. Phys. Chem. A, 2001, 105: 6750
- (2001) J. Phys. Chem. A , vol.105 , pp. 6750
- Henry, D.J.¹ Parkinson, C.J.² Mayer, P.M.³ Radom, L.⁴

13
- 0037130526
- Song, K. S.; Cheng, Y. H.; Fu, Y.; Liu, L.; Li, X. S.; Guo, Q. X. J. Phys. Chem. A, 2002, 106: 6651
- (2002) Phys. Chem. A , vol.106 , pp. 6651
- Song, K.S.¹ Cheng, Y.H.² Fu, Y.³ Liu, L.⁴ Li, X.S.⁵ Guo, Q.X.J.⁶

14
- 0037620493
- Pratt, D. A.; Mills, J. H.; Porter, N. A. J. Am. Chem. Soc., 2003, 125: 5801
- (2003) Am. Chem. Soc , vol.125 , pp. 5801
- Pratt, D.A.¹ Mills, J.H.² Porter, N.A.J.³

15
- 0037455262
- Zhang, H. Y.; Sun, Y. M.; Wang, X. L. Chem. Eur. J., 2003, 9: 502
- (2003) Chem. Eur. J , vol.9 , pp. 502
- Zhang, H.Y.¹ Sun, Y.M.² Wang, X.L.³

16
- 0037182959
- Lin, C. L.; Lai, C. H.; Chu, S. Y. Chem. Phys. Lett., 2002, 359: 355
- (2002) Chem. Phys. Lett , vol.359 , pp. 355
- Lin, C.L.¹ Lai, C.H.² Chu, S.Y.³

17
- 0036269137
- Zhang, H. Y.; Sun, Y. M.; Chen, D. Z. Chin. Chem. Lett., 2002, 13: 531
- (2002) Chin. Chem. Lett , vol.13 , pp. 531
- Zhang, H.Y.¹ Sun, Y.M.² Chen, D.Z.³

18
- 0037043513
- Yao, X. Q.; Hou, X. J.; Wu, G. S.; Xu, Y. Y.; Xiang, H. W.; Jiao, H.; Li, Y. W. J. Phys. Chem. A, 2002, 106: 7184
- (2002) Phys. Chem. A , vol.106 , pp. 7184
- Yao, X.Q.¹ Hou, X.J.² Wu, G.S.³ Xu, Y.Y.⁴ Xiang, H.W.⁵ Jiao, H.⁶ Li, Y.W.J.⁷

19
- 0034801315
- Lue, J. M.; Wittbrodt, J. M.; Wang, K.; Wen, Z.; Schlegel, H. B.; Wang, P. G.; Cheng, J. P. J. Am. Chem. Soc., 2001, 123: 2903
- (2903) J. Am. Chem. Soc , vol.2001 , pp. 123
- Lue, J.M.¹ Wittbrodt, J.M.² Wang, K.³ Wen, Z.⁴ Schlegel, H.B.⁵ Wang, P.G.⁶ Cheng, J.P.⁷

20
- 2142819985
- Feng, Y.; Liu, L.; Wang, J. T.; Zhao, S. W.; Guo, Q. X. J. Org. Chem., 2004, 69: 3129
- (2004) J. Org. Chem , vol.69 , pp. 3129
- Feng, Y.¹ Liu, L.² Wang, J.T.³ Zhao, S.W.⁴ Guo, Q.X.⁵

21
- 33748419326
- Gomes, J. R. B.; Ribeiro da Silva, M. D. M. C.; Ribeiro da Silva, M. A. V. Chem. Phys. Lett., 2006, 429: 18
- (2006) Chem. Phys. Lett , vol.429 , pp. 18
- Gomes, J.R.B.¹ da Silva, R.M.D.M.C.² da Silva, R.M.A.V.³

22
- 50049087789
- Beijing: Science Press
- Luo, Y. R. Handbook of bond dissociation energies. Beijing: Science Press, 2005: 212-219
- (2005) Handbook of Bond Dissociation Energies , pp. 212-219
- Luo, Y.R.¹

23
- 0001331266
- Acree Jr., W. E.; Tucker, S. A.; Ribeiro da Silva, M. D. M. C.; Matos, M. A. R.; Goncalves, J. M.; Ribeiro da Silva, M. A. V.; Pilcher, G. J. Chem. Thermody., 1995, 27: 391
- (1995) Chem. Thermody , vol.27 , pp. 391
- Acree, W.E.¹ Tucker, S.A.² da Silva, R.M.D.M.C.³ Matos, M.A.R.⁴ Goncalves, J.M.⁵ da Silva, R.M.A.V.⁶ Pilcher, G.J.⁷

24
- 24944589542
- Gomes, J. R. B.; Sousa, E. A.; Goncalves, J. M.; Monte, M. J. S.; Gomes, P.; Pandey, S.; Acree Jr., W. E.; Ribeiro da Silva, M. D. M. C. J. Phys. Chem. B, 2005, 109: 16188
- (2005) J. Phys. Chem. B , vol.109 , pp. 16188
- Gomes, J.R.B.¹ Sousa, E.A.² Goncalves, J.M.³ Monte, M.J.S.⁴ Gomes, P.⁵ Pandey, S.⁶ Acree, W.E.⁷ da Silva, R.M.D.M.C.⁸

25
- 4744347146
- Ribeiro da Silva, M. D. M. C.; Gomes, J. R. B.; Goncalves, J. M.; Sousa, E. A.; Pandey, S.; Acree Jr., W. E. Org. Biomol. Chem., 2004, 2: 2507
- (2507) Org. Biomol. Chem , vol.2004 , pp. 2
- da Silva, R.M.D.M.C.¹ Gomes, J.R.B.² Goncalves, J.M.³ Sousa, E.A.⁴ Pandey, S.⁵ Acree, W.E.⁶

26
- 1842789811
- Ribeiro da Silva, M. D. M. C.; Gomes, J. R. B.; Goncalves, J. M.; Sousa, E. A.; Pandey, S.; Acree Jr., W. E. J. Org. Chem., 2004, 69: 2785
- (2785) J. Org. Chem , vol.2004 , pp. 69
- da Silva, R.M.D.M.C.¹ Gomes, J.R.B.² Goncalves, J.M.³ Sousa, E.A.⁴ Pandey, S.⁵ Acree, W.E.⁶

27
- 4243553426
- Becke, A. D. Phys. Rev. A, 1988, 38: 3098
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

28
- 0345491105
- Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B, 1988, 37: 785
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

29
- 1542297780
- Xu, X.; Goddard, W. A. Proc. Natl. Acad. Sci. U. S. A., 2004, 101: 2673
- (2673) Proc. Natl. Acad. Sci. U. S. A , vol.2004 , pp. 101
- Xu, X.¹ Goddard, W.A.²

30
- 4444384571
- Boese, A. D.; Martin, J. M. L. J. Chem. Phys., 2004, 121: 3405
- (2004) J. Chem. Phys , vol.121 , pp. 3405
- Boese, A.D.¹ Martin, J.M.L.²

31
- 5944261746
- Perdew, J. P. Phys. Rev. B, 1986, 33: 8822
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

32
- 4344577294
- Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A, 2004, 108: 6908
- (2004) J. Phys. Chem. A , vol.108 , pp. 6908
- Zhao, Y.¹ Truhlar, D.G.²

33
- 24944557939
- Dahlke, E. E.; Truhlar, D. G. J. Phys. Chem. B, 2005, 109: 15677
- (2005) J. Phys. Chem. B , vol.109 , pp. 15677
- Dahlke, E.E.¹ Truhlar, D.G.²

34
- 22844442432
- Zhao, Y.; Truhlar, D. G. Phys. Chem. Chem. Phys., 2005, 7: 2701
- (2701) Phys. Chem. Chem. Phys , vol.2005 , pp. 7
- Zhao, Y.¹ Truhlar, D.G.²

35
- 0037422363
- Lynch, B. J.; Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A, 2003, 107: 1384
- (2003) J. Phys. Chem. A , vol.107 , pp. 1384
- Lynch, B.J.¹ Zhao, Y.² Truhlar, D.G.³

36
- 15544366274
- Zhao, Y.; Gonzalez-Garcia, N.; Truhlar, D. G. J. Phys. Chem. A, 2005, 109: 2012
- (2012) J. Phys. Chem. A , vol.2005 , pp. 109
- Zhao, Y.¹ Gonzalez-Garcia, N.² Truhlar, D.G.³

37
- 77957998792
- Grimme, S. J. Chem. Phys., 2006, 124: 10342
- (2006) J. Chem. Phys , vol.124 , pp. 10342
- Grimme, S.¹

38
- 33749666028
- Schwabe, T.; Grimme, S. Phys. Chem. Chem. Phys., 2006, 8: 4398
- (2006) Phys. Chem. Chem. Phys , vol.8 , pp. 4398
- Schwabe, T.¹ Grimme, S.²

39
- 0035936333
- Kang, J. K.; Musgrave, C. B. J. Chem. Phys., 2001, 115: 11040
- (2001) J. Chem. Phys , vol.115 , pp. 11040
- Kang, J.K.¹ Musgrave, C.B.²

40
- 2842565972
- Perdew, J. P.; Burke, K.; Wang, Y. Phys. Rev. B, 1996, 54: 16533
- (1996) Phys. Rev. B , vol.54 , pp. 16533
- Perdew, J.P.¹ Burke, K.² Wang, Y.³

41
- 0000235295
- Hoe, W. M.; Cohen, A. J.; Handy, N. C. Chem. Phys. Lett., 2001, 341: 319
- (2001) Chem. Phys. Lett , vol.341 , pp. 319
- Hoe, W.M.¹ Cohen, A.J.² Handy, N.C.³

42
- 0037012714
- Schultz-Fademrecht, C.; Tius, M. A.; Grimme, S.; Wibbeling, B.; Hoppe, D. Angew. Chem. Int. Edit., 2002, 41: 1532
- (2002) Angew. Chem. Int. Edit , vol.41 , pp. 1532
- Schultz-Fademrecht, C.¹ Tius, M.A.² Grimme, S.³ Wibbeling, B.⁴ Hoppe, D.⁵

43
- 0011083499
- Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev., 1988, 88: 899
- (1988) Chem. Rev , vol.88 , pp. 899
- Reed, A.E.¹ Curtiss, L.A.² Weinhold, F.³

44
- 0037144710
- Cheng, Y. H.; Zhao, X.; Song, K. S.; Liu, L.; Guo, Q. X. J. Org. Chem., 2002, 67: 6638
- (2002) J. Org. Chem , vol.67 , pp. 6638
- Cheng, Y.H.¹ Zhao, X.² Song, K.S.³ Liu, L.⁴ Guo, Q.X.⁵

45
- 0141704726
- Pittsburgh, PA: Gaussian Inc
- Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. Gaussian 03. Revision A.01. Pittsburgh, PA: Gaussian Inc., 2003
- (2003) Gaussian 03. Revision A.01
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

46
- 0012154673
- Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys., 1998, 109: 7764
- (1998) J. Chem. Phys , vol.109 , pp. 7764
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Rassolov, V.⁴ Pople, J.A.⁵

47
- 0000543185
- Baboul, A. G.; Curtiss, L. A.; Redfern, P. C.; Raghavachari, K. J. Chem. Phys., 1999, 110: 7650
- (1999) J. Chem. Phys , vol.110 , pp. 7650
- Baboul, A.G.¹ Curtiss, L.A.² Redfern, P.C.³ Raghavachari, K.⁴

48
- 44349125236
- Zheng, W. R.; Fu, Y.; Wang, H. J.; Guo, Q. X. Chin. J. Org. Chem., 2008, 28: 459
- (2008) Chin. J. Org. Chem , vol.459 , pp. 28
- Zheng, W.R.¹ Fu, Y.² Wang, H.J.³ Guo, Q.X.⁴

49
- 33750288875
- Acree Jr., W. E.; Pilcher, G.; Ribeiro da Silva, M. D. M. C. J. Phys. Chem. Ref. Data, 2005, 34: 553
- (2005) J. Phys. Chem. Ref. Data , vol.34 , pp. 553
- Acree, W.E.¹ Pilcher, G.² da Silva, R.M.D.M.C.³

50
- 0742313022
- Glendening, E. D.; Weinhold, F. J. Comput. Chem., 1998, 19: 610
- (1998) J. Comput. Chem , vol.19 , pp. 610
- Glendening, E.D.¹ Weinhold, F.²

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