Spectroscopic Analysis of the Boric Acid and Salicylic acid-Boric acid-Ethanol Solution

Yıl 2018, , 118 - 125, 05.07.2018

Tuba Özdemir , Ali Ünsal Keskiner

https://doi.org/10.30728/boron.323874

Öz

Boric
acid (H₃BO₃) solutions, consisting of boric acid powder, ethanol
and the other agents, are widely used in ear drop applications in pharmacy due
to their antiseptic and antifungal properties. Boric acid molecule and boric
acid solution, composing of salicylic acid-boric acid-ethanol mixture,
were experimentally characterized using FT-IR and ¹H NMR chemical shift spectra. The solution proved to be applicable in the field of healthcare with
its antifungal property, purity, and based on the spectroscopic results. And, the
optimized molecular structure, vibrational wavenumbers, ¹H NMR isotropic chemical shifts of used boric acid were theoretically
obtained with DFT/B3LYP method at the 6-311++G(d,p) basis set.  

Anahtar Kelimeler

Boric acid, Boric Acid Solution, Proton Chemical Shifts, DFT

Kaynakça

• Reference1 Yünlü K., Bor: Bileşikleri, Sentez yöntemleri, Özellikleri, Uygulamaları., Ulusal Bor Araştrma Enstitüsü, 2016.
• Reference2 Ullman’s Encyclopedia of Industrial Chemistry, Boron Compounds, 5th edition., vol A4, 1985.
• Reference3 Bezerra da Silva M., dos Santos R. C. R. , da Cunha A. M. , Valentini A. , Pessoa O. D. L., Caetano E. W. S. and Freire V. N. , Structural, Electronic, and Optical Properties of Bulk Boric Acid 2A and 3T Polymorphs: Experiment and Density Functional Theory Calculations, Cryst. Growth Des., 16 (11), 6631–6640, 2016.
• Reference4 See A.S., Salleh A.B., Bakar F. A., Yusof N. A., Abdulamir A.S., Heng L.Y., Risk and Health Effect of Boric Acid, American Journal of Applied Sciences 7 (5), 620-627, 2010.
• Reference5 Borik Asit Güvenlik Bilgi Formu, Eti Maden İşletmeleri Genel Müdürlüğü, 2012, http://www.mdnmuhendislik.com/FileUpload/bs658719/File/asit-borik.pdf.
• Reference6 Zachariasen, W. H., The Crystal Lattice of Boric Acid, BO3H3. Z. Kristallogr. - Cryst. Mater., 88 (1−6), 150−161, 1934.
• Reference7 Zachariasen, W. H., The Precise Structure of Orthoboric Acid Acta Cryst. 7, 305, 1954.
• Reference8 Stefani D., Pashalidis I., Nicolaides A.V., Journal of Molecular Structure: THEOCHEM 853, 33–38, 2008.
• Reference9 Magistral Pharmacy Guide, Turkish Pharmacists Association Publications, Fersa Ofset, 3.edition, 2015.
• Reference10 Becke A. D., J. Chem. Phys. 98, 5648-5652, 1993.
• Reference11 Lee C., Yang W., Parr R. G., Phys. Rev. B, 37, 785-789, 1988.
• Reference12 Frish A., Nielsen A. B., Holder A. J., Gauss View User Manual, Gaussian Inc., Pittsburg, PA, 2001.
• Reference13 Frisch M. J., Trucks G. W., Schlegel H. B., Scuseria G. E., Robb M. A., et al., Gaussian 09, Revision, A.1, (Gaussian Inc., Wallingford CT, 2009).
• Reference14 Gaussian website, Visualizing Molecules&Reactions with Gaussview 5. http://www.gaussian.com/g_prod/gv5.htm (accessed 10.08.2016).
• Reference15 Sundaaraganesan N., Ilakiamani S., Saleem H., Wojciechowski P. M., Michalska D., Spectrochim. Acta A, 61, 2995, 2005.