Yazar "Berber, Halil" için Fen Fakültesi listeleme
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2-Allil-6,6'-[(3,3'-Dimetoksi[1,1'-Bifenil]-4,4'-Diyil)Bis(Nitrilometiliden)]Bis-Fenolün Mikrodalga ve Geleneksel Isıtma Yoluyla Sentezi, Yapı Karakterizasyonu ve Tautomerik Özelliklerinin Deneysel ve Teorik Olarak İncelenmesi
Ermiş, Emel; Berber, Halil (2015)2-Allil-6,6\'-[(3,3\'-dimetoksi[1,1\'-bifenil]-4,4\'-diyil)bis(nitrilometiliden)]bis-fenol (3) Schiff bazı bileşiği, 3-allilsalisilaldehitin (1) o-dianisidin (2) ile kondenzasyon reaksiyonundan geleneksel ısıtma ve ... -
An ab initio study on protonation of some substituted thiazole derivatives
Yarlıgan, S; Öğretir, C; Csizmadia, IG; Acikkalp, E; Berber, Halil; Arslan, T (Elsevier Science BV, 2005)The preferred tautomeric forms of some 2-oxothiazole derivatives were predicted using acidity constants calculated by experimental and ab initio methods. Thiazole derivatives were subject to geometry optimization at two ... -
Acidity constant determination of novel drug precursor benzothiazolon derivatives including acyl and piperazine moieties
Sidir, İsa; Sidir, Yadigar Gülseven; Berber, Halil (Pergamon-Elsevier Science LTD, 2013)In this study, protonation and deprotonation behaviors of eight new drug precursor benzothiazolon derivatives in all of acidic and basic scale (super acidic, pH, super basic regions) are analyzed by using UV-visible ... -
Bazı Flavonoidlerin Yarı-Deneysel Çalışması
Kurt, Gürkan; Uysal, Ülkü Dilek; Berber, Halil (2015)Bu çalışmada, altı flavonol-glikozit ve tautomerlerinin kararlılık, reaktivite, geometri, nükleofilisite, muhtemel H-bağları ve enerji gibi bazı teorik özellikleri MOPAC 2012 paket programı ile PM6 ve PM7 yarı deneysel ... -
Calculation of Acidity Constants of Azo Dyes Derived 4-(Phenyldiazenyl)Benzene-1,3-Diol By Dft Method
Berber, Halil; Uysal, Ülkü Dilek (2015)Bu çalışmada, 4-(phenyldiazenyl) benzene-1,3-diolden türetilmiş altı azo boyar maddenin asitlik sabitleri Gaussian09 [1] program (B3LYP/6-311++G(d,p)) (DFT metodu) ile hesaplanmıştır.[2]. Elde edilen teorik veriler deneysel ... -
Diyabet, Kolesterol ve Tansiyon Sınıfına Ait Bazı İlaçların Üçlü İlaç Etkileşimlerinin Semi-Empirik Yöntemler İle Teorik Olarak İncelenmesi
Yazar, Sorumlu; Berber, Halil; Demir, Temir Ali (2016)Diyabet (D), kolesterol (K) ve tansiyon (T) sınıfına ait seçilmiş ilaçların üçlü etkileşimleri semi-empirik yöntemler ile teorik olarak incelendi. İlaç moleküllerinin en kararlı geometrileri CS Chem3D programı ile MM2 ... -
Electrochemical Determination of Paracetamol by a Novel Derivative of Formazan Modified Pencil Graphite Electrode
Görçay, Hakan; Türkoğlu, Gülsen; Şahin, Yücel; Berber, Halil (IEEE-Inst Electrical Electronics Engineers Inc, 2014)A modified electrode, based on electrodeposition of 5,5'-(oxybis(4,1-phenylene))bis(3-(2-hydroxyphenyl)-1-phenylformazan (BF) onto pencil graphite (PG) electrode, was investigated for the determination of paracetamol in ... -
Electronic structure and optical properties of Schiff base hydrazone derivatives by solution technique for optoelectronic devices: Synthesis, experiment and quantum chemical investigation
Sidir, İsa; Sidir, Yadigar Gülseven; Berber, Halil; Demiray, Ferhat (Elsevier Science BV, 2019)In this study, electronic, optical and spectroscopic FT-IR, UV properties of new synthesized Schiff base hydrazone derivatives, 1-(4-nitrophenyl)-2-(4-phenoxybenzylidene)hydrazone and 1-(2,4-dinitropheny1)-2-(4-phenoxybe ... -
The electronic structure, solvatochromism, and electric dipole moments of new Schiff base derivatives using absorbance and fluorescence spectra
Sidir, Yadigar Gülseven; Aslan, Cebrail; Berber, Halil; Sidir, İsa (Springer/Plenum Publishers, 2019)The electronic structure and electronic transitions of four new mono Schiff base derivatives are interpreted by using absorption and fluorescence spectra including 28 different solution medium. Electrical dipole moments ... -
Emerging ground and excited state dipole moments and external electric field effect on electronic structure. A solvatochromism and theoretical study on 2-((phenylimino)methyl)phenol derivatives
Sidir, İsa; Sidir, Yadigar Gülseven; Berber, Halil; Demiray, Ferhat (Elsevier Science BV, 2015)The absorption and fluorescence spectra of three 2-((phenylimino)methyl)phenol derivatives have been evaluated in a series of organic solvents. The ground state (mu(g)) and excited state (mu(e)) dipole moments are determined ... -
Estimation of ground and excited states dipole moments of alpha-hydroxy phenyl hydrazone derivatives: Experimental and quantum chemical methods
Sidir, İsa; Sidir, Yadigar Gülseven; Demiray, Ferhat; Berber, Halil (Elsevier Science BV, 2014)The ground state (mu(g)) and excited state (mu(e)) dipole moments of the studied alpha-hydroxy phenylhydrazones are determined by using solvatochromism theory which is based on the variation of Stokes shift with solvent's ... -
A new 2,2 '-oxydianiline derivative symmetrical azomethine compound containing thiophene units: Synthesis, spectroscopic characterization (UV-Vis, FTIR, H-1 and C-13 NMR) and DFT calculations
Ermiş, Emel; Durmus, Kaan; Aygüzer, Ömer Uğur; Berber, Halil; Güllü, Mustafa (Elsevier Science BV, 2018)In this study, a new symmetrical azomethine compound, N,N'-oxydiphenylenebis(5-(thiophen-2-yl) salicylidenimine OPBTS (5), having two thiophene rings and N, O donor groups, was successfully prepared by a simple condensation ... -
Novel formazan derivatives containing phenylsulfanyl and carbonyl units: synthesis, optical and electrochemical properties
Türkoğlu, Gülsen; Berber, Halil (Royal Soc Chemistry, 2016)A series of phenylsulfanyl and aryl carbonyl containing formazan derivatives 4a-4h and 5a-5h were synthesized by coupling of substituted phenylhydrazones with diazonium salts of 2-(phenylthio) benzenamine and 5-chloro-2- ... -
Quantum chemical and experimental studies on the mechanism of alkylation of beta-dicarbonyl compounds. The synthesis of five and six membered heterocyclic spiro derivatives
Sadıkov, N; Nasibov, A; Öğretir, Cemil; Berber, Halil; Hüseyinli, A (MDPI, 2004)The alkylation of beta-dicarbonyl compounds in a K2CO3/DMSO system was found to afford O- and C-alkylated derivatives, depending on the type of the P-dicarbonyl compound involved. The alkyl derivatives obtained were used ... -
Quantum chemical studies on some 1,2,4-triarylsubstituted imidazoles
Öğretir, Cemil; Berber, Halil (Elsevier Science BV, 2002)The geometries, proton affinities and thermodynamic properties of some 1,2,4-triarylsubstituted imidazole derivatives were calculated with full geometry optimization using AM1 and PM3 methods in aqueous phase. A possible ... -
A quantum chemical study on structure of 1,2-bis(diphenylphosphinoyl)ethane and hydroquinone cocrystal
Yenikaya, Cengiz; Öğretir, C; Berber, Halil (Elsevier Science BV, 2005)The cocrystal of 1,2-Bis(diphenylphosphinoyl)ethane (DPPEO) with hydroquinone (HQ) (1: 1) were studied theoretically with MINDO/3, MNDO, PM3 and AM I semi-empirical methods to elucidate its structure. The bond lengths and ... -
A quantum chemical study on structure of 1,2-bis(diphenylphosphinoyl)ethane and phenol cocrystal
Yenikaya, Cengiz; Öğretir, C; Berber, Halil (Elsevier Science BV, 2004)The cocrystal of 1,2-bis(diphenylphosphinoyl)ethane (DPPEO) with phenol (1: 1) were studied theoretically with AM1, PM3, MNDO and MINDO/3 semi-empirical methods to elucidate its structure. The bond lengths and angles from ... -
A quantum chemical study on structures of (+)-(R)-2,2-bis(diphenylphosphinoyl)-1,1 '-binaphthyl and its hydroquinone complex
Yenikaya, Cengiz; Öğretir, C; Berber, Halil (Elsevier Science BV, 2005)The (+)-(R)-2,2-bis(diphenylphosphinoyl)-1,1'-binaphthyl ((+)-(R)-BINAPO) and its cocrystal with hydroquinone (HQ) (1:1) were studied theoretically with AM1, PM3, MNDO and MINDO/3 semi-empirical methods to elucidate their ... -
Semi-Empirical Determination of Diabetes, Cholesterol and Blood Pressure Drug Active Compounds and Their Binary Interaction
Bu çalışmada, Diyabet , Kolestrol ve Tansiyon ilaç moleküllerinin ikili etkileşimleri teorik -
Sitozin, urasil ve olası tautomerik formlarının gaz fazı semiampirik çalışmaları
Berber, Halil (2001)Bu çalışmada sitozin, urasil ve bu moleküllerin olası tautomerik yapıların geometrileri, relatif stabiliteleri, oluşum entalpileri, iyonlaşma potansiyelleri, dipol momentleri ve entropi değerleri semiampirik moleküler ...