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Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB

Year 2014, Volume: 3 Issue: 4, 1 - 1, 01.04.2014

Abstract

– Chemical hardness is an important feature of substances. Lewis acids and bases have been classified to considering the chemical hardness concept and HSAB (Hard and Soft Acid- base) Principle has been demonstrated by Pearson. HSAB principle is an extremely useful qualitative theory that enables predictions of what adducts will form in a complex mixture of potential Lewis acids and bases. Furthermore, chemical hardness is associated with chemical reactivity of molecules. In this study, effect of the chemical hardness in complexes formation was investigated. For this purpose, complexes with Ca2+, Zn2+, Mg2+, Cu2+ ions of pyrithione (PT) ligand and its derivatives were studied. All calculations were made using the Gaussian 09, Revision B.01 program. The obtained geometries were further optimized at the b3lyp/ 6-31g (d,p) level using Gaussian package. In complex formation reactions, reaction energy (ΔE) has been calculated

References

  • C.G. Dulal, I. Nazmul, Inter. Journal of Quantum Chemistry. 111(2011) 40-51.
  • Pearson, R.G. Chemical Hardness: Applications from Molecules to Solids; Wiley-VCH: Weinheim, Germany, 1997
  • Pearson, R.G. Hard and Soft Acids and Bases. J. Am. Chem. Soc.1963, 85, 3533-3539.
  • R.G. Pearson, Recent advances in the concept of hard and soft acids and bases, Journal of Chem. Edu. 64(1987)561-567.
  • Pearson, R. G. Maximum Chemical and Physical Hardness. J. Chem. Edu. 1999, 76, 267- 275.
  • Parr, R. G.; Yang, W. Density Fuctional Theory of Atoms and Molecules; Oxford University Press, Oxford, U,K, 1989.
  • D.J. Tozer, F.D. Proft, Computation of the hardness and the problem of negative electron affinities in density functional theory, J. Phys. Chem. 2005, 109, 8923-8929.
  • T. Koopmans, Ordering of Wave Functions and Eigenenergies to the Individual Electrons of an Atom, Physica. 1(1933)104-113.
  • W. Paulus, Microbicides for the Protection of Materials London.(1993).
  • M. A. Robinson et al., J. Inorg. Nucl. Chem. 26(1964)1277-1281.
  • B.L. Barnett, H.C. Kretschmar, F.A Hartman, Structural characterization of bis(Noxopyridine-2-thionato)zinc(II), İnorg. Chem., 16(1977)1834-1838
  • A.D. Bond, W. Jones, Structure prediction as a tool for solution of the crystal structures of metallo-organic complexes using powder X-ray diffraction data, Acta Cryst. 58(2002) 233- 243
  • G.N Lewis., Valence and Structure of atoms and molecules, Chemical Catalog Company, Incorporated, 1923.
  • A.V. Glembotskii, Theoretical principles of forecasting and modifying collector properties, Tsvet. Metal., 50 (1977) 61-65.
Year 2014, Volume: 3 Issue: 4, 1 - 1, 01.04.2014

Abstract

References

  • C.G. Dulal, I. Nazmul, Inter. Journal of Quantum Chemistry. 111(2011) 40-51.
  • Pearson, R.G. Chemical Hardness: Applications from Molecules to Solids; Wiley-VCH: Weinheim, Germany, 1997
  • Pearson, R.G. Hard and Soft Acids and Bases. J. Am. Chem. Soc.1963, 85, 3533-3539.
  • R.G. Pearson, Recent advances in the concept of hard and soft acids and bases, Journal of Chem. Edu. 64(1987)561-567.
  • Pearson, R. G. Maximum Chemical and Physical Hardness. J. Chem. Edu. 1999, 76, 267- 275.
  • Parr, R. G.; Yang, W. Density Fuctional Theory of Atoms and Molecules; Oxford University Press, Oxford, U,K, 1989.
  • D.J. Tozer, F.D. Proft, Computation of the hardness and the problem of negative electron affinities in density functional theory, J. Phys. Chem. 2005, 109, 8923-8929.
  • T. Koopmans, Ordering of Wave Functions and Eigenenergies to the Individual Electrons of an Atom, Physica. 1(1933)104-113.
  • W. Paulus, Microbicides for the Protection of Materials London.(1993).
  • M. A. Robinson et al., J. Inorg. Nucl. Chem. 26(1964)1277-1281.
  • B.L. Barnett, H.C. Kretschmar, F.A Hartman, Structural characterization of bis(Noxopyridine-2-thionato)zinc(II), İnorg. Chem., 16(1977)1834-1838
  • A.D. Bond, W. Jones, Structure prediction as a tool for solution of the crystal structures of metallo-organic complexes using powder X-ray diffraction data, Acta Cryst. 58(2002) 233- 243
  • G.N Lewis., Valence and Structure of atoms and molecules, Chemical Catalog Company, Incorporated, 1923.
  • A.V. Glembotskii, Theoretical principles of forecasting and modifying collector properties, Tsvet. Metal., 50 (1977) 61-65.
There are 14 citations in total.

Details

Primary Language English
Journal Section Articles
Authors

Savaş Kaya This is me

Sultan Erkan Kariper This is me

Ayhan Ungördü This is me

Cemal Kaya This is me

Publication Date April 1, 2014
Published in Issue Year 2014 Volume: 3 Issue: 4

Cite

APA Kaya, S., Kariper, S. E., Ungördü, A., Kaya, C. (2014). Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB. Journal of New Results in Science, 3(4), 1-1.
AMA Kaya S, Kariper SE, Ungördü A, Kaya C. Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB. JNRS. April 2014;3(4):1-1.
Chicago Kaya, Savaş, Sultan Erkan Kariper, Ayhan Ungördü, and Cemal Kaya. “Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB”. Journal of New Results in Science 3, no. 4 (April 2014): 1-1.
EndNote Kaya S, Kariper SE, Ungördü A, Kaya C (April 1, 2014) Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB. Journal of New Results in Science 3 4 1–1.
IEEE S. Kaya, S. E. Kariper, A. Ungördü, and C. Kaya, “Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB”, JNRS, vol. 3, no. 4, pp. 1–1, 2014.
ISNAD Kaya, Savaş et al. “Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB”. Journal of New Results in Science 3/4 (April 2014), 1-1.
JAMA Kaya S, Kariper SE, Ungördü A, Kaya C. Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB. JNRS. 2014;3:1–1.
MLA Kaya, Savaş et al. “Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB”. Journal of New Results in Science, vol. 3, no. 4, 2014, pp. 1-1.
Vancouver Kaya S, Kariper SE, Ungördü A, Kaya C. Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB. JNRS. 2014;3(4):1-.


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