Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves

Cilt: 24 Sayı: 2 30 Aralık 2011
Devrim Özöğüt , Nevzat Kalafatçıoğlu
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Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves

Öz

The geometries, heat of formations (ǻHf), entropies (ǻS),  proton affinities (PA), atomic charges (q), nucleophilicities (n), substituted constants (ı) and local electrophilic sensitivities (s), were calculated for some alkylated pyridine derivatives after full geometry optimization using AM1, PM3 and PM5  methods in both aqueous and gas phases for studied molecules. The calculated acidity constants, pKa values, were evaluated by means of searching the possible correlation between experimentally obtained results and the computed data. 

Anahtar Kelimeler

Pyridine derivatives,acidity,basicity,substituted pyridines,quantum chemical calculations.

Kaynakça

  1. [1] W. Marczak, A. Heintz, M.J. Bucek , “Calorimetric investigations of hydrogen bonding in binary mixtures containing pyridine and its methyl-substituted derivatives. II. The dilute solutions of methanol and 2-methyl-2-propanol’’, Chem. Thermodyn, Vol.36, pp.575-582, 2004.
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Kaynak Göster

APA
Özöğüt, D., & Kalafatçıoğlu, N. (2011). Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves. Eskişehir Osmangazi Üniversitesi Mühendislik ve Mimarlık Fakültesi Dergisi, 24(2), 145-166. https://izlik.org/JA92FK89NK
AMA
1.Özöğüt D, Kalafatçıoğlu N. Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves. ESOGÜ Müh Mim Fak Derg. 2011;24(2):145-166. https://izlik.org/JA92FK89NK
Chicago
Özöğüt, Devrim, ve Nevzat Kalafatçıoğlu. 2011. “Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves”. Eskişehir Osmangazi Üniversitesi Mühendislik ve Mimarlık Fakültesi Dergisi 24 (2): 145-66. https://izlik.org/JA92FK89NK.
EndNote
Özöğüt D, Kalafatçıoğlu N (01 Aralık 2011) Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves. Eskişehir Osmangazi Üniversitesi Mühendislik ve Mimarlık Fakültesi Dergisi 24 2 145–166.
IEEE
[1]D. Özöğüt ve N. Kalafatçıoğlu, “Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves”, ESOGÜ Müh Mim Fak Derg, c. 24, sy 2, ss. 145–166, Ara. 2011, [çevrimiçi]. Erişim adresi: https://izlik.org/JA92FK89NK
ISNAD
Özöğüt, Devrim - Kalafatçıoğlu, Nevzat. “Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves”. Eskişehir Osmangazi Üniversitesi Mühendislik ve Mimarlık Fakültesi Dergisi 24/2 (01 Aralık 2011): 145-166. https://izlik.org/JA92FK89NK.
JAMA
1.Özöğüt D, Kalafatçıoğlu N. Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves. ESOGÜ Müh Mim Fak Derg. 2011;24:145–166.
MLA
Özöğüt, Devrim, ve Nevzat Kalafatçıoğlu. “Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves”. Eskişehir Osmangazi Üniversitesi Mühendislik ve Mimarlık Fakültesi Dergisi, c. 24, sy 2, Aralık 2011, ss. 145-66, https://izlik.org/JA92FK89NK.
Vancouver
1.Devrim Özöğüt, Nevzat Kalafatçıoğlu. Theoretıcal Studıes On Acıd- Base Behavıour Of Some Alkyl Substıtuted Pyrıdıne Derıvatıves. ESOGÜ Müh Mim Fak Derg [Internet]. 01 Aralık 2011;24(2):145-66. Erişim adresi: https://izlik.org/JA92FK89NK