And, the optimized molecular structure, vibrational wavenumbers, 1 H NMR isotropic chemical shifts of used boric acid were theoretically obtained with DFT/B3LYP method at the 6-311++G(d,p) basis set.
📌 3 Maddede Bu Makale
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Amaç & Hipotez:Boric acid (H 3 BO 3 ) 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.
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Temel Bulgular & Veri:Boric acid molecule and boric acid solution, composing of salicylic acid-boric acid-ethanol mixture, were experimentally characterized using FT-IR and 1 H NMR chemical shift spectra .
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Sonuç & Katkı:And, the optimized molecular structure, vibrational wavenumbers, 1 H NMR isotropic chemical shifts of used boric acid were theoretically obtained with DFT/B3LYP method at the 6-311++G(d,p) basis set.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Boric acid · Boric Acid Solution · Proton Chemical Shifts
Abstract
Boric acid (H 3 BO 3 ) 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 1 H 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, 1 H NMR isotropic chemical shifts of used boric acid were theoretically obtained with DFT/B3LYP method at the 6-311++G(d,p) basis set.
Özdemir, T., Keskiner, A. Ü. (2018). Spectroscopic Analysis of the Boric Acid and Salicylic acid-Boric acid-Ethanol Solution. Bor Dergisi, Cilt: 3 Sayı: 2, 118–125. https://doi.org/10.30728/boron.323874
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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.