Estimation of enthalpies of formation of organometallic compounds from their molecular structures

Journal of Organometallic Chemistry

Volumn 693, Issue 7, 2008, Pages 1261-1268

  Jover, Jesús ^a   Bosque, Ramón ^a   Martinho Simões, José A ^b   Sales, Joaquim ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF LISBON   (Portugal)

Author keywords

Enthalpy of formation; Organometallic compounds; QSPR

Indexed keywords

CORRELATION METHODS; ENTHALPY; MOLECULAR STRUCTURE; REGRESSION ANALYSIS;

ENTHALPY OF FORMATION; MULTILINEAR REGRESSION; ORGANOMETALLIC COMPOUNDS; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP (QSPR);

ORGANOMETALLICS;

EID: 40649096993     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2008.01.021     Document Type: Article

References (26)

1. S.W. Benson J.H. Buss J. Chem. Phys. 29 1958 546
2. E.S. Domalsky, E.D. Hearing, V.J. Hearing Jr., NIST Estimation of the Chemical Thermodynamic Properties for Organic Compounds at 298.15 K, NIST Standard Reference Database 18, National Institute of Standards and Technology, Gaithersburg, 1994.
3. K.J. Laidler Can. J. Chem. 34 1956 626
4. J.P. Leal J. Phys. Chem. Ref. Data 35 2006 55
5. J.B. Pedley Thermochemical Data and Structures of Organic Compounds vol. I 1994 TRC College Station
6. G. Pilcher H.A. Skinner Thermochemistry of organometallic compounds F.R. Hartley S. Patai The Chemistry of the Metal–Metal Bond 1982 Wiley New York (Chapter 2)
7. Y.-R. Luo S.W. Benson Acc. Chem. Res. 25 1992 375
8. Y.-R. Luo S.W. Benson J. Phys. Chem. 93 1989 4643
9. Y.-R. Luo S.W. Benson J. Phys. Chem. 93 1989 3791
10. R. Becerra R. Walsh J. Phys. Chem. A 101 1997 8959
11. A.R. Dias J.A. Martinho Simões C. Teixeira C. Airoldi A.P. Chagas J. Organomet. Chem. 335 1987 71
12. A.R. Katritzky V.S. Lobanov M. Karelson J. Chem. Inf. Comput. Sci. 40 2000 1
13. O. Ivanciuc T. Ivanciuc D. Cabrol-Brass A.T. Balaban J. Chem. Inf. Comput. Sci. 40 2000 631
14. O. Ivanciuc T. Ivanciuc D.J. Klein W.A. Seitz A.T. Balaban J. Chem. Inf. Comput. Sci. 41 2001 536
15. A. Yan J. Chem. Inf. Model. 46 2006 2299
16. J.A. Martinho Simões, Organometallic Thermochemistry Data, in: P.J. Linstrom, W.G. Mallard (Eds.), NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg, June 2005. .
17. J.D. Cox G. Pilcher Thermodynamic of Organic and Organometallic Compounds 1970 Academic Press
18. A.R. Katritzky, V.S. Lobanov, M. Karelson, codessa , Reference Manual V 2.13, Semichem and the University of Florida, 1997.
19. M.J.S. Dewar E.G. Zoebisch E.F. Healy J.P.P. Stewart J. Am. Chem. Soc. 107 1985 3902
20. J.P.P. Stewart J. Comput. Chem. 10 1989 209
21. J.P.P. Stewart, QCPE, No 455, Indiana University, Bloomington, IN, 1989.
22. J. Emsley The Elements 1989 Claredon Press
23. L.B. Kier L.H. Hall Eur. J. Med. Chem. 12 1977 307
24. L.B. Kier Quant. Struct.-Act. Relat. 2 1985 109
25. M. Randic J. Am. Chem. Soc. 97 1975 6609
26. A.R. Katritzky L. Mu V.S. Lobanov M. Karelson J. Phys. Chem. 100 1996 10400