BibTex RIS Kaynak Göster

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

Yıl 2014, Cilt: 3 Sayı: 4, 1 - 1, 01.04.2014

Öz

– 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

Kaynakça

  • 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.
Yıl 2014, Cilt: 3 Sayı: 4, 1 - 1, 01.04.2014

Öz

Kaynakça

  • 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.
Toplam 14 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Bölüm Articles
Yazarlar

Savaş Kaya Bu kişi benim

Sultan Erkan Kariper Bu kişi benim

Ayhan Ungördü Bu kişi benim

Cemal Kaya Bu kişi benim

Yayımlanma Tarihi 1 Nisan 2014
Yayımlandığı Sayı Yıl 2014 Cilt: 3 Sayı: 4

Kaynak Göster

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. Nisan 2014;3(4):1-1.
Chicago Kaya, Savaş, Sultan Erkan Kariper, Ayhan Ungördü, ve 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, sy. 4 (Nisan 2014): 1-1.
EndNote Kaya S, Kariper SE, Ungördü A, Kaya C (01 Nisan 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, ve C. Kaya, “Effect of Some Electron Donor and Electron Acceptor Groups on Stability of Complexes According to the Principle of HSAB”, JNRS, c. 3, sy. 4, ss. 1–1, 2014.
ISNAD Kaya, Savaş vd. “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 (Nisan 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 vd. “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, c. 3, sy. 4, 2014, ss. 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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