A comparison of metallophilic interactions in group 11[X-M-PH3]n (n = 2-3) complex halides (M = Cu, Ag, Au; X = Cl, Br, I) from density functional theory

Chemical Physics Letters

Volumn 462, Issue 4-6, 2008, Pages 222-228

  Assadollahzadeh, Behnam ^a   Schwerdtfeger, Peter ^a  

^a MASSEY UNIVERSITY   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

METALLOPHILIC INTERACTIONS;

FLOW INTERACTIONS;

EID: 50649117027     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.07.096     Document Type: Article

References (50)

1. Laguna A., Fernández E.J., and López-de-Luzuriaga J.M. In: Atwood J.L., and Steed J.W. (Eds). Encyclopedia of Supramolecular Chemistry (2004), Dekker, New York 82
2. Pyykkö P. Chem. Rev. 97 (1997) 597
3. Runeberg N., Schütz M., and Werner H.-J. J. Chem. Phys. 110 (1999) 7210
4. Magnko L., Schweizer M., Rauhut G., Schütz M., Stoll H., and Werner H.-J. Phys. Chem. Chem. Phys. 4 (2002) 1006
5. Hermann H.L., Boche G., and Schwerdtfeger P. Chem. Eur. J. 7 (2001) 5333
6. Pyykkö P., and Mendizabal F. Chem. Eur. J. 3 (1997) 1458
7. Doll K., Pyykkö P., and Stoll H. J. Chem. Phys. 109 (1998) 2339
8. Mendizabal F., Pyykkö P., and Runeberg N. Chem. Phys. Lett. 370 (2003) 733
9. Cotton F.A., Feng X., and Timmons D.J. Inorg. Chem. 37 (1998) 4066
10. Harvey P.D. Coordin. Chem. Rev. 153 (1996) 175
11. Melnik M., and Parish R.V. Coordin. Chem. Rev. 70 (1986) 157
12. Mohamed A.A., Bruce A.E., and Bruce M.R.M. In: Patai S., and Rappoport Z. (Eds). The Chemistry of Organic Derivatives of Gold and Silver (1999), Wiley, New York 313
13. Schwerdtfeger P., Bruce A.E., and Bruce M.R.M. J. Am. Chem. Soc. 120 (1998) 6587
14. Schwerdtfeger P., and Boyd P.D.W. Inorg. Chem. 31 (1992) 327
15. Yam V.W.-W., and Cheng E.C.-C. Gold, Top. Curr. Chem. 281 (2007) 269
16. Gimeno M.C., and Laguna A. Chem. Rev. 97 (1997) 511
17. Schmidbaur H. Chem. Soc. Ref. 24 (1995) 391
18. Jiang Y., Alvarez S., and Hoffman R. Inorg. Chem. 24 (1985) 749
19. Pyykkö P., and Zhao Y. Angew. Chem. Int. Ed. Engl. 30 (1991) 604
20. Pyykkö P., Li J., and Runeberg N. Chem. Phys. Lett. 218 (1994) 133
21. Pyykkö P., and Zaleski-Ejgierd P. J. Chem. Phys. 128 (2008) 124309
22. Pyykkö P., Runeberg N., and Mendizabal F. Chem. Eur. J. 3 (1997) 1451
23. Schwerdtfeger P., and Bowmaker G.A. J. Chem. Phys. 100 (1994) 4487
24. O'Grady E., and Kaltsoyannis N. Phys. Chem. Chem. Phys. 6 (2004) 680
25. Riedel S., Pyykkö P., Mata R.A., and Werner H.-J. Chem. Phys. Lett. 405 (2005) 148
26. Seth M., Cooke F., Pelissier M., Heully J.-L., and Schwerdtfeger P. J. Chem. Phys. 109 (1998) 3935
27. Schwerdtfeger P., Lein M., Krawczyk R.P., and Jacob Ch. J. Chem. Phys. 128 (2008) 124302
28. Figgen D., Rauhut G., Dolg M., and Stoll H. Chem. Phys. 311 (2005) 227 Pseudopotentials and basis sets: ECP10MDF + [6s6p4d3f2g] → (10s10p8d3f2g) for Cu; ECP28MDF + [6s6p4d3f2g] → (10s10p8d3f2g) for Ag; ECP60MDF + [6s6p4d3f2g] → (10s10p8d3f2g) for Au
29. Peterson K.A., Figgen D., Goll E., Stoll H., and Dolg M. J. Chem. Phys. 119 (2003) 11113 Pseudopotentials and basis sets: ECP10MDF + aug-cc-pVDZ (9s8p8d) → [5s4p3d] for Br; ECP28oldMDF + aug-cc-pVDZ (9s7p7d) → [5s4p3d] for I
30. Frisch M.J., et al. Gaussian 03, Revision C.02 (2003), Gaussian, Inc., Pittsburgh PA and references cited therein
31. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 533
32. Werner H.-J., et al. Molpro, Version 2006.1. A Package of Ab initio Programs (2006), Cardiff, UK
33. Schwerdtfeger P., Hermann H.L., and Schmidbaur H. Inorg. Chem. 42 (2003) 1334
34. Baker L.-J., Bowmaker G.A., Hart R.D., Harvey P.J., Healy P.C., and White A.H. Inorg. Chem. 33 (1994) 3925
35. Bowmaker G.A., Cotton J.D., Healy P.C., Kildea J.D., Silong S.B., Skelton B.W., and White A.H. Inorg. Chem. 28 (1989) 1462
36. Bowmaker G.A., Schmidbaur H., Krüger S., and Rösch N. Inorg. Chem. 36 (1997) 1754
37. Schwerdtfeger P., Boyd P.D.W., Burrell A.K., Robinson W.T., and Taylor M.J. Inorg. Chem. 29 (1990) 3593
38. Baker L.-J., Bowmaker G.A., Camp D., Healy P.C., Schmidbaur H., Steigelmann O., and White A.H. Inorg. Chem. 31 (1992) 3656
39. Kickelbein G., and Schubert U. Inorg. Chem. Acta 262 (1997) 61
40. Baker L.-J., Bott R.C., Bowmaker G.A., Healy P.C., Skelton B.W., Schwerdtfeger P., and White A.H. J. Chem. Soc., Dalton Trans. 8 (1995) 1341
41. Häberlen O.D., Chung S.-C., and Rösch N. Int. J. Quantum Chem. 28 (1994) 595
42. Baenziger N.C., Bennett W.E., and Soboroff D.M. Acta Crystallogr., Sect. B 32 (1976) 962
43. Tiekink E.R.T. Acta Crystallogr., Sect. C 45 (1989) 1233
44. Angermaier K., Zeller E., and Schmidbaur H. J. Organomet. Chem. 472 (1994) 371
45. Schwerdtfeger P. Heteroat. Chem. 13 (2002) 578
46. Huber K.P., and Herzberg G. Molecular Spectra and Molecular Structure Constants of Diatomic Molecules (1979), Van Nostrand, New York
47. Simard B., Hackett P.A., James A.M., and Langridge-Smith P.R.R. Chem. Phys. Lett. 186 (1991) 415
48. In: Lide D.R. (Ed). CRC Handbook of Chemistry and Physics (1977), CRC Press, Cleveland, Ohio
49. Runeberg N., Schütz M., and Werner H.-J. J. Chem. Phys. 110 (1999) 7210
50. Schwerdtfeger P., Gaston N., Krawczyk R.P., Tonner R., and Moyano G.E. Phys. Rev. B 73 (2006) 064112