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Investigation of the Novel Complex with Copper(II)-Nicotinamide in Terms of Structural and Spectroscopic Properties

Yıl 2021, , 55 - 65, 11.06.2021
https://doi.org/10.33484/sinopfbd.719915

Öz

[Cu(na)2(H2O)4]2+.[Cu(H2O)6]2+.[(SO4)2]4-.(H2O)2 (na=nicotinamide), was investigated by focusing on its supramolecular architecture. Structural properties of the complex were characterized by XRD, spectroscopic methods, thermogravimetric and elemental analysis. Further ultra-violet (UV)-visible spectral analysis and Thermogravimetric analysis were performed to understand optical and thermal properties. It has been observed that complex has crystallized in the monoclinic crystal system in P21/c space group. The complex has two Cu(II) metals; one is coordinated with the oxygen atoms of six aqua while the other is coordinated through two nitrogen atoms of the na and the oxygen atoms from four aqua. Both Cu(II) ions have slightly distorted octahedral environments. There are a lot of hydrogen bonds due to aqua and water molecules. The complex is connected by hydrogen bonds to form a supramolecular structure. The IR spectroscopic study of the complex was carried out within the middle IR region, substantially focusing on the characteristic vibrations of nicotinamide.

Kaynakça

  • Ramalingam, S., Periandy, S., Govindarajan, M., & Mohan, S. (2010). FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75(5), 1552-8. https://doi.org/10.1016/j.saa.2010.02.015
  • Kozlevčar, B., Leban, I., Turel, I., Šegedin, P., Petric, M., Pohleven, F., White, A. J. P., Williams, D. J., & Sieler, J. (1999). Complexes of copper (II) acetate with nicotinamide: preparation, characterization and fungicidal activity; crystal structures of [Cu2(O2CCH3)4(nia)] and [Cu2(O2CCH3)4(nia)2]. Polyhedron, 18(5), 755-762. https://doi.org/10.1016/S0277-5387(98)00350-7
  • Pirc, E. T., Modec, B., Cer-Kerčmar, K., & Bukovec, P. (2014). Synthesis, structure, antioxidant and SOD-mimetic activity of [Cu(xanthurenate)(nicotinamide)(H2O)] complexes. Monatshefte für Chemie-Chemical Monthly, 145(6), 911-920. https://doi.org/10.1007/s00706-014-1168-y
  • Castellano, E. E., Piro, O. E., Parajón-Costa, B. S., & Baran, E. J. (2002). Crystal structure and vibrational behaviour of tetraaqua-di(nicotinamide) M(II)-saccharinates, with M(II)=Co, Ni, Zn. Zeitschrift für Naturforschung B, 57(6), 657-660. https://doi.org/10.1515/znb-2002-0611
  • Parajón-Costaa, B. S., Baran, E. J., Piro, O. E., & Castellano, E. E. (2002). Crystal structure and vibrational behaviour of aqua di (saccharinato) di (nicotinamide) copper (II). Zeitschrift für Naturforschung B, 57(1), 43-46. https://doi.org/10.1515/znb-2002-0105
  • Naïli, H., Rekik, W., Bataille, T., & Mhiri, T. (2006). Crystal structure, phase transition and thermal behaviour of dabcodiium hexaaquacopper(II) bis(sulfate), (C6H14N2)[Cu(H2O)6](SO4)2. Polyhedron, 25(18), 3543-3554. https://doi.org/10.1016/j.poly.2006.07.010
  • Saïd, S., Mhadhbi, N., Hajlaoui, F., Yahyaoui, S., Norquist, A. J., Mhiri, T., Bataille, T., & Naïli, H. (2013). The structural transformation of monoclinic [(R)-C5H14N2][Cu(SO4)2(H2O)4]·2H2O into orthorhombic [(R)-C5H14N2]2[Cu(H2O)6](SO4)3: crystal structures and thermal behavior. Phase Transitions, 87(1), 71-84. https://doi.org/10.1080/01411594.2013.787617
  • Ma, J. F., Yang, J., Zheng, G. L., Li, L., & Liu, J. F. (2003). A porous supramolecular architecture from a copper(II) coordination polymer with a 3d four-connected 86 net. Inorganic Chemistry, 42(23), 7531-7534. https://doi.org/10.1021/ic034846q
  • Aycan, T. (2020). Hekzaakua-bis(sulfat) içeren nikotinamitli kobalt(II) ve çinko(II) koordinasyon bileşikleri: sentezlenmesi, yapısal, spektroskopik ve termal özelliklerinin incelenmesi. Geleceğin Dünyasında Bilimsel ve Mesleki Çalışmalar 2020/ Fen Bilimleri I, Ekin Basım Yayın Dağıtım, Bursa, 94-111.
  • Sheldrick, G. (1992). SHELXS-97 and SHELXL-97, University of Gottingen, Germany.
  • Farrugia, L. J. (1999). WinGX suite for small-molecule single-crystal crystallography. Journal of Applied Crystallography, 32(4), 837-838. https://doi.org/10.1107/S0021889899006020
  • Farrugia, L. J. (1997). ORTEP-3 for windows-a version of ORTEP-III with a graphical user ınterface (GUI). Journal of Applied Crystallography, 30(5), 565-565. https://doi.org/10.1107/S0021889897003117
  • Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M., & Streek, J. v. d. (2006). Mercury: visualization and analysis of crystal structures. Journal of Applied Crystallography, 39(3), 453-457. https://doi.org/10.1107/S002188980600731X
  • Özbek, F. E., Sertçelik, M., Yüksek, M., Necefoğlu, H., Çelik, R. Ç., Nayir, G. Y., & Hökelek, T. (2017). Cu(II) and Ni(II) 4-cyanobenzoate complexes with nicotinamide: Synthesis, spectral, structural and optical characterization and thermal behavior. Journal of Molecular Structure, 1150, 112-117. https://doi.org/10.1016/j.molstruc.2017.08.074
  • Kaştaş, G., Aycan, T. A., Paşaoğlu, H., Kocabıyık, C., & Karabulut, B. (2012). Supramolecular structures constructed by connection of one-dimensional polymer chains through the dimeric water clusters in coordination polymers of pyromellitate ligand. Journal of Inorganic and Organometallic Polymers and Materials, 22(5), 1003-1015. https://doi.org/10.1007/s10904-012-9686-8
  • Etter, M. C. (1990). Encoding and decoding hydrogen-bond patterns of organic-compounds. Accounts of Chemical Research, 23(4), 120-126. https://doi.org/10.1021/ar00172a005
  • Bernstein, J., Davis, R. E., Shimoni, L., & Chang, N. L. (1995). Patterns in hydrogen bonding - functionality and graph set analysis in crystals. Angewandte Chemie International Edition, 34(15), 1555-1573. https://doi.org/10.1002/anie.199515551
  • Paşaoğlu, H., Güven, S., Heren, Z., & Büyükgüngör, O. (2006). Synthesis, spectroscopic and structural investigation of ZnI2(nicotinamide)2, ZnI2(isonicotinamide)2 and [Zn(H2O)2(picolinamide)2]I2. Journal of Molecular Structure, 794(1), 270-276. https://doi.org/10.1016/j.molstruc.2006.02.045
  • Bayarı, S., Ataç, A., & Yurdakul, Ş. (2003). Coordination behaviour of nicotinamide: an infrared spectroscopic study. Journal of Molecular Structure, 655(1), 163-170. https://doi.org/10.1016/S0022-2860(03)00256-4
  • Stuart, B. H. (2004). Infrared Spectroscopy: Fundamentals and Applications, Wiley.
  • Ak Aycan T., Paşaoğlu, H., & Kaştaş, G. (2016). Two different coordination dimers of pyromellitic acid in terms of molecular geometry and supramolecular architecture. Journal of Molecular Structure 1105(1), 238-245.
  • Sundaraganesan, N., Ilakiamani, S., & Joshua, B. D. (2007). FT-Raman and FT-IR spectra, ab initio and density functional studies of 2-amino-4, 5-difluorobenzoic acid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 67(2), 287-297. https://doi.org/10.1016/j.saa.2006.07.016
  • Tyagi, S., Singh, S. M., Gencaslan, S., Sheldrick, W., & Singh, U. P. (2002). Metal–5-fluorouracil–histamine complexes: solution, structural, and antitumour studies. Metal-based drugs, 8(6), 337-345. https://doi.org/10.1155/MBD.2002.337
  • Secco, E. A. (1988). Spectroscopic properties of SO4 (and OH) in different molecular and crystalline environments. I. Infrared spectra of Cu4(OH)6SO4, Cu4(OH)4OSO4, and Cu3(OH)4SO4. Canadian Journal of Chemistry, 66(2), 329-336. https://doi.org/10.1139/v88-057
  • Nakamoto, K. (2009). Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part B: Applications in Coordination, Organometallic, and Bioinorganic Chemistry. Wiley.
  • Köse, D., & Necefoğlu, H. (2008). Synthesis and characterization of bis (nicotinamide) m-hydroxybenzoate complexes of Co(II), Ni(II), Cu(II) and Zn(II). Journal of Thermal Analysis and Calorimetry, 93(2), 509-514.

Bakır(II)-Nikotinamit İçeren Yeni Kompleksin Yapısal ve Spektroskopik Özellikler Açısından İncelenmesi

Yıl 2021, , 55 - 65, 11.06.2021
https://doi.org/10.33484/sinopfbd.719915

Öz

Bu çalışma [Cu(na)2(H2O)4]2+.[Cu(H2O)6]2+.[(SO4)2]4-.(H2O)2 (na=nikotinamit) kompleksinin supramoleküler mimarisine odaklanmıştır. Kompleksin yapısal özellikleri, XRD, spektroskopik yöntemler, termogravimetrik ve elementel analiz ile tanımlanmıştır. Kompleksin monoklinik kristal sisteminde P21/c uzay grubunda kristallendiği görülmüştür. Kompleks içinde iki Cu(II) metali vardır ve her ikisi de az bozulmuş oktahedral çevreye sahiptir. Cu(II) iyonlarından birisi su moleküllerinin oksijen atomlarıyla koordine iken diğeri na ligandının iki azot atomu ve su moleküllerinin oksijen atomlarıyla koordinedir. Kristal yapıda, su ve kristal örgü su moleküllerinden dolayı çok fazla hidrojen bağı vardır. Kompleks hidrojen bağları ile supramoleküler yapıyı meydana getirmiştir. Kompleksin IR spektroskopik çalışmaları, esas olarak nikotinamitin karakteristik titreşimlerine odaklanarak orta IR bölgesi içerisinde gerçekleştirilmiştir.

Kaynakça

  • Ramalingam, S., Periandy, S., Govindarajan, M., & Mohan, S. (2010). FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75(5), 1552-8. https://doi.org/10.1016/j.saa.2010.02.015
  • Kozlevčar, B., Leban, I., Turel, I., Šegedin, P., Petric, M., Pohleven, F., White, A. J. P., Williams, D. J., & Sieler, J. (1999). Complexes of copper (II) acetate with nicotinamide: preparation, characterization and fungicidal activity; crystal structures of [Cu2(O2CCH3)4(nia)] and [Cu2(O2CCH3)4(nia)2]. Polyhedron, 18(5), 755-762. https://doi.org/10.1016/S0277-5387(98)00350-7
  • Pirc, E. T., Modec, B., Cer-Kerčmar, K., & Bukovec, P. (2014). Synthesis, structure, antioxidant and SOD-mimetic activity of [Cu(xanthurenate)(nicotinamide)(H2O)] complexes. Monatshefte für Chemie-Chemical Monthly, 145(6), 911-920. https://doi.org/10.1007/s00706-014-1168-y
  • Castellano, E. E., Piro, O. E., Parajón-Costa, B. S., & Baran, E. J. (2002). Crystal structure and vibrational behaviour of tetraaqua-di(nicotinamide) M(II)-saccharinates, with M(II)=Co, Ni, Zn. Zeitschrift für Naturforschung B, 57(6), 657-660. https://doi.org/10.1515/znb-2002-0611
  • Parajón-Costaa, B. S., Baran, E. J., Piro, O. E., & Castellano, E. E. (2002). Crystal structure and vibrational behaviour of aqua di (saccharinato) di (nicotinamide) copper (II). Zeitschrift für Naturforschung B, 57(1), 43-46. https://doi.org/10.1515/znb-2002-0105
  • Naïli, H., Rekik, W., Bataille, T., & Mhiri, T. (2006). Crystal structure, phase transition and thermal behaviour of dabcodiium hexaaquacopper(II) bis(sulfate), (C6H14N2)[Cu(H2O)6](SO4)2. Polyhedron, 25(18), 3543-3554. https://doi.org/10.1016/j.poly.2006.07.010
  • Saïd, S., Mhadhbi, N., Hajlaoui, F., Yahyaoui, S., Norquist, A. J., Mhiri, T., Bataille, T., & Naïli, H. (2013). The structural transformation of monoclinic [(R)-C5H14N2][Cu(SO4)2(H2O)4]·2H2O into orthorhombic [(R)-C5H14N2]2[Cu(H2O)6](SO4)3: crystal structures and thermal behavior. Phase Transitions, 87(1), 71-84. https://doi.org/10.1080/01411594.2013.787617
  • Ma, J. F., Yang, J., Zheng, G. L., Li, L., & Liu, J. F. (2003). A porous supramolecular architecture from a copper(II) coordination polymer with a 3d four-connected 86 net. Inorganic Chemistry, 42(23), 7531-7534. https://doi.org/10.1021/ic034846q
  • Aycan, T. (2020). Hekzaakua-bis(sulfat) içeren nikotinamitli kobalt(II) ve çinko(II) koordinasyon bileşikleri: sentezlenmesi, yapısal, spektroskopik ve termal özelliklerinin incelenmesi. Geleceğin Dünyasında Bilimsel ve Mesleki Çalışmalar 2020/ Fen Bilimleri I, Ekin Basım Yayın Dağıtım, Bursa, 94-111.
  • Sheldrick, G. (1992). SHELXS-97 and SHELXL-97, University of Gottingen, Germany.
  • Farrugia, L. J. (1999). WinGX suite for small-molecule single-crystal crystallography. Journal of Applied Crystallography, 32(4), 837-838. https://doi.org/10.1107/S0021889899006020
  • Farrugia, L. J. (1997). ORTEP-3 for windows-a version of ORTEP-III with a graphical user ınterface (GUI). Journal of Applied Crystallography, 30(5), 565-565. https://doi.org/10.1107/S0021889897003117
  • Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M., & Streek, J. v. d. (2006). Mercury: visualization and analysis of crystal structures. Journal of Applied Crystallography, 39(3), 453-457. https://doi.org/10.1107/S002188980600731X
  • Özbek, F. E., Sertçelik, M., Yüksek, M., Necefoğlu, H., Çelik, R. Ç., Nayir, G. Y., & Hökelek, T. (2017). Cu(II) and Ni(II) 4-cyanobenzoate complexes with nicotinamide: Synthesis, spectral, structural and optical characterization and thermal behavior. Journal of Molecular Structure, 1150, 112-117. https://doi.org/10.1016/j.molstruc.2017.08.074
  • Kaştaş, G., Aycan, T. A., Paşaoğlu, H., Kocabıyık, C., & Karabulut, B. (2012). Supramolecular structures constructed by connection of one-dimensional polymer chains through the dimeric water clusters in coordination polymers of pyromellitate ligand. Journal of Inorganic and Organometallic Polymers and Materials, 22(5), 1003-1015. https://doi.org/10.1007/s10904-012-9686-8
  • Etter, M. C. (1990). Encoding and decoding hydrogen-bond patterns of organic-compounds. Accounts of Chemical Research, 23(4), 120-126. https://doi.org/10.1021/ar00172a005
  • Bernstein, J., Davis, R. E., Shimoni, L., & Chang, N. L. (1995). Patterns in hydrogen bonding - functionality and graph set analysis in crystals. Angewandte Chemie International Edition, 34(15), 1555-1573. https://doi.org/10.1002/anie.199515551
  • Paşaoğlu, H., Güven, S., Heren, Z., & Büyükgüngör, O. (2006). Synthesis, spectroscopic and structural investigation of ZnI2(nicotinamide)2, ZnI2(isonicotinamide)2 and [Zn(H2O)2(picolinamide)2]I2. Journal of Molecular Structure, 794(1), 270-276. https://doi.org/10.1016/j.molstruc.2006.02.045
  • Bayarı, S., Ataç, A., & Yurdakul, Ş. (2003). Coordination behaviour of nicotinamide: an infrared spectroscopic study. Journal of Molecular Structure, 655(1), 163-170. https://doi.org/10.1016/S0022-2860(03)00256-4
  • Stuart, B. H. (2004). Infrared Spectroscopy: Fundamentals and Applications, Wiley.
  • Ak Aycan T., Paşaoğlu, H., & Kaştaş, G. (2016). Two different coordination dimers of pyromellitic acid in terms of molecular geometry and supramolecular architecture. Journal of Molecular Structure 1105(1), 238-245.
  • Sundaraganesan, N., Ilakiamani, S., & Joshua, B. D. (2007). FT-Raman and FT-IR spectra, ab initio and density functional studies of 2-amino-4, 5-difluorobenzoic acid. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 67(2), 287-297. https://doi.org/10.1016/j.saa.2006.07.016
  • Tyagi, S., Singh, S. M., Gencaslan, S., Sheldrick, W., & Singh, U. P. (2002). Metal–5-fluorouracil–histamine complexes: solution, structural, and antitumour studies. Metal-based drugs, 8(6), 337-345. https://doi.org/10.1155/MBD.2002.337
  • Secco, E. A. (1988). Spectroscopic properties of SO4 (and OH) in different molecular and crystalline environments. I. Infrared spectra of Cu4(OH)6SO4, Cu4(OH)4OSO4, and Cu3(OH)4SO4. Canadian Journal of Chemistry, 66(2), 329-336. https://doi.org/10.1139/v88-057
  • Nakamoto, K. (2009). Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part B: Applications in Coordination, Organometallic, and Bioinorganic Chemistry. Wiley.
  • Köse, D., & Necefoğlu, H. (2008). Synthesis and characterization of bis (nicotinamide) m-hydroxybenzoate complexes of Co(II), Ni(II), Cu(II) and Zn(II). Journal of Thermal Analysis and Calorimetry, 93(2), 509-514.
Toplam 26 adet kaynakça vardır.

Ayrıntılar

Birincil Dil Türkçe
Konular Mühendislik
Bölüm Araştırma Makaleleri
Yazarlar

Tuğba Aycan 0000-0002-5313-7807

Yayımlanma Tarihi 11 Haziran 2021
Gönderilme Tarihi 13 Nisan 2020
Yayımlandığı Sayı Yıl 2021

Kaynak Göster

APA Aycan, T. (2021). Bakır(II)-Nikotinamit İçeren Yeni Kompleksin Yapısal ve Spektroskopik Özellikler Açısından İncelenmesi. Sinop Üniversitesi Fen Bilimleri Dergisi, 6(1), 55-65. https://doi.org/10.33484/sinopfbd.719915


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