THE INVESTIGATION OF GEOMETRICAL PROPERTIES OF 2,5 PYRIDINEDICARBOXYLIC ACID, SYNTHESIS AND VIBRATIONAL PROPERTIES OF ITS SOME METAL HALOGEN COMPOUNDS
Abstract
In this work, the theoretical and experimental vibrational spectra of 2,5 pyridinedicarboxylic acid were studied. FT-IR spectra of the molecule in the liquid phase were recorded in the region 4000-400 cm-1. The structural and spectroscopic data were calculated by using density functional method (B3LYP, HF, BLYP) with the 6-31G(d) basis set in the ground state. The vibrational frequencies were calculated and scaled values were compared with experimental FT-IR spectra. The observed and calculated frequencies are found to be in good agreement. In addition to these five new complexes of 2,5 pyridinedicarboxylic acid molecule Ni(2,5 PDA)Cl2, Hg(2,5 PDA)Cl2, Cu(2,5 PDA)Cl2, Fe(2,5 PDA)Cl2, Mn(2,5 PDA)Cl2 [where; 2,5PDA: 2,5 pyridinedicarboxylic acid] were synthesized for the first time. The FT-IR spectra of the new complexes were recorded, and their C, H, and N analysis results were reported. The possible structures for complexes were proposed according to elemental analysis and FT-IR spectra.
References
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- Bellamy L.J., The Infrared Spectra of Complex Molecules . Third Ed. (1975).
- Akyuz S., Dempster J.B., Morehause R.L., “An infrared and Raman spectroscopic study of some metal pyridine tetracyanonickelate complexes”. J. Mol. Struct., 17: 105, (1973).
- Afifi M.S. and Shabana A.A., Analysis, 10: 239 (1982).
- Yurdakul S., Atac A., Sahin E. and Ide S., “Synthesis , Spectroscopic and structural Studies on metal halide complexes of isonicotinamide”. Vib. Spectrosc., 31: 41-49, (2003).
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2,5 PİRİDİNDİKARBOKSİLİK ASİT MOLEKÜLÜNÜN GEOMETRİK VE TİTREŞİMSEL ÖZELLİKLERİNİN ARAŞTIRILMASI VE BAZI METAL HALOJEN KOMPLEKSLERİNİN SENTEZLENMESİ
Abstract
Bu çalışmada 2,5 Piridindikarboksilik asit için deneysel ve teorik çalışma yapıldı. Molekülün FT-IR spektrumu sıvı fazda 4000-400 cm1 aralığında kaydedildi. Yapısal ve spektroskopik hesaplar B3LYP, HF, BLYP metotlarında 6-31G(d) baz seti kullanarak yapıldı. Titreşim frekansları hesaplatıldı ve çarpım faktörü ile çarpılıp deneysel FT-IR spektrumu ile karşılaştırıldı. Gözlenen ve hesaplanan değerlerin uyumlu olduğu görüldü. Ayrıca 2,5 Piridindikarboksilik Asit için 5 yeni [formülü; Ni(2,5 PDA)Cl2, Hg(2,5 PDA)Cl2, Cu(2,5 PDA)Cl2, Fe(2,5 PDA)Cl2, Mn(2,5 PDA)Cl2 ile verilen ] kompleks sentezi ilk kez yapıldı. Komplekslerin FT-IR spektrumu kaydedildi. FT-IR spektrumu ve elemental analize göre yeni kompleksler için yapısı öngörüldü.
References
- Xu H.T., Zheng N.W., Xu H.H., Wu Y.G., Yang R.Y., Ye E.Y., Jin X.L, “The effect of the ligand's symmetry on assembly of the coordination polymer Mn(C6N2H2O4)].: A new coordination polymer with channel structures”. J. Mol. Struct., 597: 1–5, (2001)
- Wen L.L., Lu Z.D., Lin J.G., Tian Z.F., Zhu H.Z., Meng Q.J., “Syntheses, Structures, and Physical Properties of Three Novel Metal−Organic Frameworks Polycarboxylate Acids and Flexible Imidazole- Based Synthons”. Cryst. Growth Des., 7: 93–99, (2007). from Aromatic
- Wei Y.L., Hou H.W., Li L.K., Fan Y.T., Zhu Y., “From Metallamacrocyclic Complex and 1D and 2D Polymers”. Cryst. Growth Des., 5: 1405–1413, (2005). Acid to Tetranuclear
- Song Y.S., Yan B., Weng L.H., “Synthesis and crystal structure of a novel two-dimensional 3d-4f heterometallic coordination polymer constructed from three-ply-like layers”. Inorg. Chem. Commun. : 567–570, (2006).
- Liang Y.C., Hong M.C., Su W.P., Cao R., Zhang W.J., “Preparations, Structures, and Magnetic Properties of a Series of Novel of Two Gadolinium(III)-Copper(II) Karabacak M., Kurt M., Ataç A. “Experimental and theoretical FT-IR and FT-Raman spectroscopic analysis of N1-methyl-2-chloroaniline”. J. Phys. Organic Chem., DOI 10.1002/poc.1480, (2008).
- Sundaraganesan N., Ilakiamani S., Saleem H., Wojciechowski P. M., Michalska D., “FT-Raman and FT-IR spectra, vibrational assignments and density nitropyridine”. Spectrochim. Acta A, 61: 2995-3001, (2005). studies of bromo-2
- Frisch A., Nielsen A. B., Holder A. J., “Gaussview Users Manual”, Gaussian Inc., Pittsburg. (2000).
- Bellamy L.J., The Infrared Spectra of Complex Molecules . Third Ed. (1975).
- Akyuz S., Dempster J.B., Morehause R.L., “An infrared and Raman spectroscopic study of some metal pyridine tetracyanonickelate complexes”. J. Mol. Struct., 17: 105, (1973).
- Afifi M.S. and Shabana A.A., Analysis, 10: 239 (1982).
- Yurdakul S., Atac A., Sahin E. and Ide S., “Synthesis , Spectroscopic and structural Studies on metal halide complexes of isonicotinamide”. Vib. Spectrosc., 31: 41-49, (2003).
- Atac A., Yurdakul S., Ide S., “Synthesis and Vibrational Isonicotinamide Metal (II) Halide Complexes”. J. Mol. Struct., 788: 79 (2006). Studies of
- Yurdakul S. and Atac A., “Fourier Transform infrared spectroscopic study of isonicotinamide metal(||) tetracyanonickelate and Halide complexes”. Spectrosc. Lett., 37: 33 (2004).
- Atac A. and Bardak F., “Synthesis and Vibrational Spectroscopic Study of Some Metal(II) Halide and Tetracyanonickelate Complexes of Isonicotinic Acid” . Turk. J. Chem., 30: 609 (2006).
- Sandstrom M., Perssan I., “A Study of Solvent Electron-Pair Donor Ability and Lewis Basicity Scales”. Acta Chem. Scand., 44: 653-675, (1990). Geliş Tarihi: 28/02/2011 Kabul Tarihi:07/03/2011
Details
| Primary Language | English |
|---|---|
| Subjects | Engineering |
| Journal Section | Articles |
| Authors | |
| Publication Date | March 1, 2011 |
| Published in Issue | Year 2011 Volume: 7 Issue: 1 |