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Journal of the Chemical Society. Dalton Transactions

Volumn , Issue 5, 2001, Pages 664-669

A combined ligand field and density functional theory study of the structural and spectroscopic properties of [Cu(dien)2]2+

(1) Deeth, Robert J a

a UNIVERSITY OF WARWICK (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; ELECTROSTATICS; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS;

LIGANDS;

COPPER COMPOUNDS;

EID: 0035820155 PISSN: 14727773 EISSN: None Source Type: Journal
DOI: 10.1039/b008720n Document Type: Article

Times cited : (19)

References (49)

1
- 0031192417
- E.J. Baerends and O.V. Gritsenko, J. Phys. Chem. A, 1997, 101, 5383.
- (1997) J. Phys. Chem. A , vol.101 , pp. 5383
- Baerends, E.J.¹ Gritsenko, O.V.²

2
- 0001312501
- T. Ziegler, Can. J. Chem. - Rev. Can. Chim., 1995, 73, 743.
- (1995) Can. J. Chem. - Rev. Can. Chim. , vol.73 , pp. 743
- Ziegler, T.¹

3
- 0001363075
- M.R. Bray, R.J. Deeth and V.J. Paget, Prog. React. Kinet., 1996, 21, 169.
- (1996) Prog. React. Kinet. , vol.21 , pp. 169
- Bray, M.R.¹ Deeth, R.J.² Paget, V.J.³

4
- 4243622507
- S. Zalis, H. Stoll, E.J. Baerends and W. Kaim, Inorg. Chem., 1999, 38, 6101.
- (1999) Inorg. Chem. , vol.38 , pp. 6101
- Zalis, S.¹ Stoll, H.² Baerends, E.J.³ Kaim, W.⁴

5
- 0033544366
- A. Rosa, E.J. Baerends, S.J.A. van Gisbergen, E. van Lenthe, J.A. Groeneveld and J.G. Snijders, J. Am. Chem. Soc., 1999, 121, 10356.
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 10356
- Rosa, A.¹ Baerends, E.J.² Van Gisbergen, S.J.A.³ Van Lenthe, E.⁴ Groeneveld, J.A.⁵ Snijders, J.G.⁶

6
- 0001353936
- S.J.A. van Gisbergen, J.A. Groeneveld, A. Rosa, J.G. Snijders and E.J. Baerends, J. Phys. Chem. A, 1999, 103, 6835.
- (1999) J. Phys. Chem. A , vol.103 , pp. 6835
- Van Gisbergen, S.J.A.¹ Groeneveld, J.A.² Rosa, A.³ Snijders, J.G.⁴ Baerends, E.J.⁵

7
- 0001669617
- J.A. Aramburu, M. Moreno, K. Doclo, C. Daul and M.T. Barriuso, J. Chem. Phys., 1999, 110, 1497.
- (1999) J. Chem. Phys. , vol.110 , pp. 1497
- Aramburu, J.A.¹ Moreno, M.² Doclo, K.³ Daul, C.⁴ Barriuso, M.T.⁵

8
- 0000109531
- F. Deghoul, H. Chermette, F. Rogemond, R. Moncorge, C. Stuckl and C. Daul, Phys. Rev. B: Condens. Matter, 1999, 60, 2404.
- (1999) Phys. Rev. B: Condens. Matter , vol.60 , pp. 2404
- Deghoul, F.¹ Chermette, H.² Rogemond, F.³ Moncorge, R.⁴ Stuckl, C.⁵ Daul, C.⁶

9
- 0000917168
- K. Doclo, D. De Corte, C. Daul and H.U. Gudel, Inorg. Chem., 1998, 37, 3842.
- (1998) Inorg. Chem. , vol.37 , pp. 3842
- Doclo, K.¹ De Corte, D.² Daul, C.³ Gudel, H.U.⁴

10
- 0000786979
- A.C. Stuckl, C.A. Daul and H.U. Gudel, Int. J. Quantum Chem., 1997, 61, 579.
- (1997) Int. J. Quantum Chem. , vol.61 , pp. 579
- Stuckl, A.C.¹ Daul, C.A.² Gudel, H.U.³

11
- 0001642902
- C. Daul, E.J. Baerends and P. Vernooijs, Inorg. Chem., 1994, 33, 3538.
- (1994) Inorg. Chem. , vol.33 , pp. 3538
- Daul, C.¹ Baerends, E.J.² Vernooijs, P.³

12
- 84987068015
- C. Daul, J. Comput. Chem., 1994, 52, 867.
- (1994) J. Comput. Chem. , vol.52 , pp. 867
- Daul, C.¹

13
- 0001726676
- S. Patchkovskii and T. Ziegler, J. Chem. Phys., 1999, 111, 5730.
- (1999) J. Chem. Phys. , vol.111 , pp. 5730
- Patchkovskii, S.¹ Ziegler, T.²

14
- 0034274685
- G. Schreckenbach, S.K. Wolff and T. Ziegler, J. Phys. Chem. A, 2000, 104, 8244.
- (2000) J. Phys. Chem. A , vol.104 , pp. 8244
- Schreckenbach, G.¹ Wolff, S.K.² Ziegler, T.³

15
- 0010784607
- ed. R.F. Nalewajski, Springer, Heidelberg
- E.K.U. Gross, J.F. Dobson and K. Petersilka, in Time Dependent DFT, ed. R.F. Nalewajski, Springer, Heidelberg, 1996.
- (1996) Time Dependent DFT
- Gross, E.K.U.¹ Dobson, J.F.² Petersilka, K.³

16
- 0000919042
- A.J. Bridgeman and M. Gerloch, Prog. Inorg. Chem., 1997, 45, 179.
- (1997) Prog. Inorg. Chem. , vol.45 , pp. 179
- Bridgeman, A.J.¹ Gerloch, M.²

17
- 0003922821
- John Wiley and Sons Ltd., New York
- B.N. Figgis and M.A. Hitchman, Ligand Field Theory and Its Applications, John Wiley and Sons Ltd., New York, 2000.
- (2000) Ligand Field Theory and Its Applications
- Figgis, B.N.¹ Hitchman, M.A.²

18
- 1542514650
- D.W. Smith, Struct. Bonding (Berlin), 1972, 12, 50.
- (1972) Struct. Bonding (Berlin) , vol.12 , pp. 50
- Smith, D.W.¹

19
- 0003438949
- Methuen and Co. Ltd, London
- L.E. Orgel, An Introduction to Transition-Metal Chemistry: Ligand Field Theory, Methuen and Co. Ltd, London, 1966.
- (1966) An Introduction to Transition-Metal Chemistry: Ligand Field Theory
- Orgel, L.E.¹

20
- 0003482420
- Elsevier, Amsterdam
- A.B.P. Lever, Inorganic Electronic Spectroscopy, Elsevier, Amsterdam, 1984.
- (1984) Inorganic Electronic Spectroscopy
- Lever, A.B.P.¹

21
- 37049119565
- B.J. Hathaway, M.J. Bew, D.E. Billing, R.J. Dudley and P. Nicholls, J. Chem. Soc. A, 1969, 2312.
- (1969) J. Chem. Soc. A , pp. 2312
- Hathaway, B.J.¹ Bew, M.J.² Billing, D.E.³ Dudley, R.J.⁴ Nicholls, P.⁵

22
- 37049097399
- M. Duggan, B.J. Hathaway and J. Mullane, J. Chem. Soc., Dalton Trans., 1980, 690.
- (1980) J. Chem. Soc., Dalton Trans. , pp. 690
- Duggan, M.¹ Hathaway, B.J.² Mullane, J.³

23
- 0010791123
- CAMMAG, Cambridge, 1983
- D.A. Cruse, J.E. Davies, M. Gerloch, J.H. Harding, D.J. Mackey and R.F. McMeeking, CAMMAG, Cambridge, 1983.
- Cruse, D.A.¹ Davies, J.E.² Gerloch, M.³ Harding, J.H.⁴ Mackey, D.J.⁵ McMeeking, R.F.⁶

24
- 0010853291
- ADF 2000.01, Amsterdam
- E.J. Baerends, A. Bérces, C. Bo, P.M. Boerrigter, L. Cavallo, L. Deng, R.M. Dickson, D.E. Ellis, L. Fan, T.H. Fischer, C. Fonseca Guerra, S.J.A. van Gisbergen, J.A. Groeneveld, O.V. Gritsenko, F.E. Harris, P. van den Hoek, H. Jacobsen, G. van Kessel, F. Kootstra, E. van Lenthe, V.P. Osinga, P.H.T. Philipsen, D. Post, C.C. Pye, W. Ravenek, P. Ros, P.R.T. Schipper, G. Schreckenbach, J.G. Snijders, M. Sola, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, O. Visser, E. van Wezenbeek, G. Wiesenekker, S.K. Wolff, T.K. Woo and T. Ziegler, ADF 2000.01, Amsterdam, 2000.
- (2000)
- Baerends, E.J.¹ Bérces, A.² Bo, C.³ Boerrigter, P.M.⁴ Cavallo, L.⁵ Deng, L.⁶ Dickson, R.M.⁷ Ellis, D.E.⁸ Fan, L.⁹ Fischer, T.H.¹⁰ Fonseca Guerra, C.¹¹ Van Gisbergen, S.J.A.¹² Groeneveld, J.A.¹³ Gritsenko, O.V.¹⁴ Harris, F.E.¹⁵ Van den Hoek, P.¹⁶ Jacobsen, H.¹⁷ Van Kessel, G.¹⁸ Kootstra, F.¹⁹ Van Lenthe, E.²⁰ more..

25
- 0038023343
- E.J. Baerends, D.E. Ellis and P. Ros, Chem. Phys., 1973, 2, 41.
- (1973) Chem. Phys. , vol.2 , pp. 41
- Baerends, E.J.¹ Ellis, D.E.² Ros, P.³

26
- 36549093268
- L. Versluis and T. Ziegler, J. Chem. Phys., 1988, 88, 322.
- (1988) J. Chem. Phys. , vol.88 , pp. 322
- Versluis, L.¹ Ziegler, T.²

27
- 0032221816
- C. Fonseca Guerra, J.G. Snijders, G. te Velde and E.J. Baerends, Theor. Chim. Acta, 1998, 99, 391.
- (1998) Theor. Chim. Acta , vol.99 , pp. 391
- Fonseca Guerra, C.¹ Snijders, J.G.² Te Velde, G.³ Baerends, E.J.⁴

28
- 3843063359
- M.R. Bray, R.J. Deeth, V.J. Paget and P.D. Sheen, Int. J. Quantum Chem., 1997, 61, 85.
- (1997) Int. J. Quantum Chem. , vol.61 , pp. 85
- Bray, M.R.¹ Deeth, R.J.² Paget, V.J.³ Sheen, P.D.⁴

29
- 0000572389
- T.K. Kundu, R. Bruyndonckx, C. Daul and P.T. Manoharan, Inorg. Chem., 1999, 38, 3931.
- (1999) Inorg. Chem. , vol.38 , pp. 3931
- Kundu, T.K.¹ Bruyndonckx, R.² Daul, C.³ Manoharan, P.T.⁴

30
- 0037880444
- E. van Lenthe, E.J. Baerends and J.G. Snijders, J. Chem. Phys., 1993, 99, 4597.
- (1993) J. Chem. Phys. , vol.99 , pp. 4597
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

31
- 2942550208
- E. van Lenthe, E.J. Baerends and J.G. Snijders, J. Chem. Phys., 1994, 101, 9783.
- (1994) J. Chem. Phys. , vol.101 , pp. 9783
- Van Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

32
- 1642459514
- E. van Lenthe, R. van Leeuwen, E.J. Baerends and J.G. Snijders, Int. J. Quantum Chem., 1996, 57, 281.
- (1996) Int. J. Quantum Chem. , vol.57 , pp. 281
- Van Lenthe, E.¹ Van Leeuwen, R.² Baerends, E.J.³ Snijders, J.G.⁴

33
- 0010163977
- E. van Lenthe, J.G. Snijders and E.J. Baerends, J. Chem. Phys., 1996, 105, 6505.
- (1996) J. Chem. Phys. , vol.105 , pp. 6505
- Van Lenthe, E.¹ Snijders, J.G.² Baerends, E.J.³

34
- 0000458921
- E. van Lenthe, A.E. Ehlers and E.J. Baerends, J. Chem. Phys., 1999, 110, 8943.
- (1999) J. Chem. Phys. , vol.110 , pp. 8943
- Van Lenthe, E.¹ Ehlers, A.E.² Baerends, E.J.³

35
- 0000185946
- E.J. Baerends, D.E. Ellis and P. Ros, Theor. Chim. Acta, 1972, 27, 339.
- (1972) Theor. Chim. Acta , vol.27 , pp. 339
- Baerends, E.J.¹ Ellis, D.E.² Ros, P.³

36
- 37049126860
- F.S. Stephens, J. Chem. Soc. A, 1969, 2233.
- (1969) J. Chem. Soc. A , pp. 2233
- Stephens, F.S.¹

37
- 37049068947
- R.J. Deeth and C.M. Kemp, J. Chem. Soc., Dalton Trans., 1992, 2013.
- (1992) J. Chem. Soc., Dalton Trans. , pp. 2013
- Deeth, R.J.¹ Kemp, C.M.²

38
- 33845378698
- R.J. Deeth and M. Gerloch, Inorg. Chem., 1985, 24, 4490.
- (1985) Inorg. Chem. , vol.24 , pp. 4490
- Deeth, R.J.¹ Gerloch, M.²

39
- 0001424433
- R.J. Deeth and M. Gerloch, Inorg. Chem., 1984, 23, 3846.
- (1984) Inorg. Chem. , vol.23 , pp. 3846
- Deeth, R.J.¹ Gerloch, M.²

40
- 0010922375
- M.A. Hitchman and J.B. Bremner, Inorg. Chim. Acta, 1978, 27, L61.
- (1978) Inorg. Chim. Acta , vol.27
- Hitchman, M.A.¹ Bremner, J.B.²

41
- 0003685941
- McGraw-Hill, New York
- J.C. Slater, The Self-consistent Field for Molecules and Solids, McGraw-Hill, New York, 1974.
- (1974) The Self-consistent Field for Molecules and Solids
- Slater, J.C.¹

42
- 33749295571
- A.G. Brenosa, M. Moreno and J.A. Aramburu, J. Phys.: Condens. Matter, 1991, 3, 7743.
- (1991) J. Phys.: Condens. Matter , vol.3 , pp. 7743
- Brenosa, A.G.¹ Moreno, M.² Aramburu, J.A.³

43
- 0010783266
- M.Q. Ehsan, Y. Ohba, S. Yamauchi and M. Iwaizumi, Chem. Lett., 1995, 151.
- (1995) Chem. Lett. , pp. 151
- Ehsan, M.Q.¹ Ohba, Y.² Yamauchi, S.³ Iwaizumi, M.⁴

44
- 33845280170
- A.A. Gewirth and E.I. Solomon, J. Am. Chem. Soc., 1988, 110, 3811.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 3811
- Gewirth, A.A.¹ Solomon, E.I.²

45
- 33845377800
- K.W. Penfield, A.A. Gewirth and E.I. Solomon, J. Am. Chem. Soc., 1985, 107, 4519.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 4519
- Penfield, K.W.¹ Gewirth, A.A.² Solomon, E.I.³

46
- 0010924762
- personal communication
- E.I. Solomon, personal communication.
- Solomon, E.I.¹

47
- 37049066593
- V.J. Burton and R.J. Deeth, J. Chem. Soc., Chem. Commun., 1995, 573.
- (1995) J. Chem. Soc., Chem. Commun. , pp. 573
- Burton, V.J.¹ Deeth, R.J.²

48
- 0001337166
- V.J. Burton, R.J. Deeth, C.M. Kemp and P.J. Gilbert, J. Am. Chem. Soc., 1995, 117, 8407.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 8407
- Burton, V.J.¹ Deeth, R.J.² Kemp, C.M.³ Gilbert, P.J.⁴

49
- 33748502308
- R.J. Deeth and V.J. Paget, J. Chem. Soc., Dalton Trans., 1997, 537.
- (1997) J. Chem. Soc., Dalton Trans. , pp. 537
- Deeth, R.J.¹ Paget, V.J.²

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