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Infrared and Raman Spectra, Ab Initio Calculations Vibrational Assignment of 4-Aminosalicylic Acid

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Author
Akkaya, Yasemin
Akyüz, Sevim
Type
Article
Date
2006-11-24
Language
en_US
Metadata
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Abstract
The experimental and theoretical study on the structures and vibrations of 4-aminosalicylic acid are presented. The infrared spectra (4000–400 cm−1) and the Raman spectra (4000–50 cm−1) of the molecule in solid phase have been measured. There are seven stable conformers, C1,C2, C3, C4, C5, C6, and C7 for this molecule. The computational results identify the most stable conformer of 4-aminosalicylic acid as the C1 form. The geometrical parameters and energies have been obtained for all seven conformers from ab-initio calculations. The vibrations of the five more stable conformers of 4-aminosalicylic acid are investigated with the aid of quantum chemical calculations. The spectroscopic and theoretical results are compared to the corresponding properties for 4-aminosalicylic dimer of C1 conformers.
Subject
Ab Initio Calculations
4-Aminosalicylic Acid
Infrared Spectra
Raman Spectra
URI
https://doi.org/10.1016/j.vibspec.2006.05.011
https://hdl.handle.net/11413/2611
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  • Makaleler / Articles [293]

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İstanbul Kültür University

Hakkında |Politika | Kütüphane | İletişim | Send Feedback | Admin

Istanbul Kültür University, Ataköy Campus E5 Karayolu Üzeri Bakırköy 34158, İstanbul / TURKEY
Copyright © İstanbul Kültür University

Creative Commons Lisansı
IKU Institutional Repository, Creative Commons Alıntı-GayriTicari-Türetilemez 4.0 Uluslararası Lisansı ile lisanslanmıştır.

Designed by  UNIREPOS