Skip to main content
SpringerLink
Log in

Theoretical and molecular modelling studies on organic transition metal complexes, II. Calculation of the stability constants of bidentate ligands in relation to theIrving-Williams order

Theoretische und Molekülmodellierungs-Studien von organischen Übergangsmetallkomplexen, 2. Mitt.: Berechnung der Stabilitätskonstanten von zweizähnigen Liganden in Relation zurIrving-Williams-Ordnung

  • Organische Chemie Und Biochemie
  • Published:
Monatshefte für Chemie / Chemical Monthly Aims and scope Submit manuscript

Abstract

The bidentate chelates of the transition elements Mn to Zn with salicylaldoxime, 8-hydroxyquinoline and 8-mercaptoquinoline have been constructed using molecular graphics and the stability constants derived from the calculated reaction enthalpies using an extended CNDO/2 method. The results generally follow theIrving-Williams order except for the mercaptoquinoline where large entropy effects are known to be present experimentally. The influence of substituents on the stability constant of salicylaldoxime is reflected in the calculated value particularly for electron-withdrawing groups.

Zusammenfassung

Die zweizähnigen Chelate der Übergangsmetalle Mn bis Zn mit Salicylaldoxim, 8-Hydroxychinolin und 8-Mercaptochinolin wurden unter Verwendung von molekulargraphischen Methoden und den Stabilitätskonstanten aus den mittels einer erweiterten CNDO/2-Methode ermittelten Reaktionsenthalpien konstruiert. Die Ergebnisse folgen generell derIrving-Williams-Ordnung, mit Ausnahme von 8-Mercaptochinolin, von dem bekannt ist, daß experimentell große Entropieeffekte auftreten. Der Einfluß von Substituenten auf die Stabilitätskonstanten der Salicylaldoximkomplexe spiegelt sich besonders für elektronenabziehende Gruppen in den berechneten Werten deutlich wider.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Hunter JA, Morley JO (1987) Polyhedron 6, 1215

    Google Scholar 

  2. U.S.-Pat. 3428449, 1968 (to General Mills Corporation);

  3. U.S.-Pat. 4020106, 1973 (to I.C.I. P.L.C.);

  4. Dalton RF, Massam JP, Tumilty JA (1977) Advances in Extractive Metallurgy. Institute of Mining and Metallurgy, London, 123

    Google Scholar 

  5. Flett DS, Hartladge JA, Spink DR, Okuhara DN (1975) J Inorg Nucl Chem 37: 1967

    Google Scholar 

  6. Flett DS, Cox M, Heels JD (1975) J Inorg Nucl Chem 37: 2197

    Google Scholar 

  7. Preston JA, Luklinska ZB (1980) J Inorg Nucl Chem 42: 431

    Google Scholar 

  8. Nariai H, Masuda Y, Sekido E (1984) Bull Chem Soc Jpn 57: 3077

    Google Scholar 

  9. Sekido E, Yoshimura Y, Masuda Y (1976) J Inorg Nucl Chem 38: 1183

    Google Scholar 

  10. Sekido E, Yoshimura Y (1976) J Inorg Nucl Chem 38: 1187

    Google Scholar 

  11. Burger K, Egyed I (1965) J Inorg Nucl Chem 28: 2361

    Google Scholar 

  12. Jameson RF,Wilson MF,Dalton JCS (1972) 2614, 2617

  13. Gutnikov G, Freiser H (1968) Anal Chem 40 (1): 39

    Google Scholar 

  14. Feng PK, Fernando Q (1960) J Amer Chem Soc 82: 2115

    Google Scholar 

  15. Smith RM, Martell AE (1975) Critical Stability Constants. Vol 2, Plenum Press, New York

    Google Scholar 

  16. Yatsimirskii KB,Kriss EE,Grigor'eva AS Dokl Akad Nauk SSSR, 1175, 221 (1), 153;

  17. Kriss EE, Grigor'eva AS, Yatsimirskii KB, Fialkov YA, Endel'man ES, Fadeicheva AG (1976) Russ J Inorg Chem 21 (1): 93

    Google Scholar 

  18. El-Hilaly AE, Shawali AS, Madkour MA (1979) Inorganic Chim Acta 36 (2): 179

    Google Scholar 

  19. Yousif UZ, Al-Imarah FJM (1980) J Inorg Nucl Chem 42: 779;

    Google Scholar 

  20. Gupta VP, Sthapak JK, Sharma DD (1980) Ibid 43: 3019;

    Google Scholar 

  21. Abbasi SH, Sharma RK (1981) J Inorg Nucl Chem 43: 625

    Google Scholar 

  22. Jones JG,Poole JB,Tomkinson JC,Williams RJP (1958) J Chem Soc 2001

  23. Desai AG, Milburn RM (1969) J Amer Chem Soc 91 (8): 1958

    Google Scholar 

  24. Irving H,Williams RJP (1953) J Chem Soc 3192

  25. Jarski MA, Lingafelter EC (1964) Acta Crystalloger 17: 1109

    Google Scholar 

  26. Stewart JM, Lingafelter EC (1959) Acta Crystalloger 12: 849

    Google Scholar 

  27. Ang L-T, Graddon DP (1976) Aust J Chem 29: 565

    Google Scholar 

  28. Sacconi L, Orioli PL, Di Vaira M (1965) J Amer Chem Soc 87: 3102

    Google Scholar 

  29. Orioli PL, Di Vaira M, Sacconi L (1966) Inorg Chem 5: 400

    Google Scholar 

  30. Knyazeva AN, Shkol'Nikova LM (1973) Zh Strukt Khim 14: 1058

    Google Scholar 

  31. Palenik GJ (1964) Acta Crystallogr 17: 687

    Google Scholar 

  32. Kanamura F, Ogawa K, Nitta I (1963) Bull Chem Soc Jpn 36: 422

    Google Scholar 

  33. Hoy RC, Morriss RH (1967) Acta Crystallogr 22: 476

    Google Scholar 

  34. Palenik GJ (1964) Acta Crystallogr 17: 696

    Google Scholar 

  35. Hems R, Mackay MF (1975) J Cryst Mol Struct 5: 227

    Google Scholar 

  36. Mabbs FE,McLachlan VN,McFadden D,McPhail AT (1973) J Chem Soc, Dalton, 2016

  37. Matyukhina OG, Ozols YaK, Ibragimov BT, Leeis YaE, Terent'eva LE, Belov NV (1981) Zh Struct Khim 4: 22144

    Google Scholar 

  38. Matyukhina OG,Sobolev AN,Leeis YaE,Bandovskii YuA (1984) Latv PSR Zinat Akad Vestis, Khim Ser 25

  39. Bankovskis J, Cera L, Ievins A (1966) Latv PSR Zinat Akad Vestis, Khim Ser 5: 601

    Google Scholar 

  40. Cambridge Structural Database, Cambridge Crystallographic Data Centre, University Chemical Laboratory, Lensfield Road, Cambridge, C82 2EW, England

  41. Morrow C,White D Video Vector Dynamics Graphics System, Dept of Chemistry, University of Glasgow

Download references

Author information

Authors and Affiliations

  1. ICI Colours and Fine Chemicals, Fine Chemicals Research Centre, Hexagon House, Blackley, M9 3DA, Manchester, U.K.

    John O. Morley

Authors
  1. John O. Morley
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Morley, J.O. Theoretical and molecular modelling studies on organic transition metal complexes, II. Calculation of the stability constants of bidentate ligands in relation to theIrving-Williams order. Monatsh Chem 119, 1263–1278 (1988). https://doi.org/10.1007/BF00808307

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00808307

Keywords

Search

Navigation