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Calculation and analysis of IR spectrum of 2-aminopyridine

Thumbnail
Author
Akalın, Elif
Büyükmurat, Y.
Özel, Ayşen E.
Akyüz, Sevim
Type
Article
Date
1999-05-25
Language
en_US
Metadata
Show full item record
Abstract
Normal coordinate analysis of 2-aminopyridine (2AP) and ND2-pyridine have been performed in valance force field approximation. 2AP was taken as planar because of the low barrier to amino group inversion. The IR absorption intensities have been calculated and the electro–optical parameters (EOP) were fitted to experimental data in order to produce the experimental relative intensities. The created force field and EOP reproduce the IR spectrum of the molecule studied well.
Subject
Normal coordinate analysis
2-aminopyridine
IR spectrum
Force field
Electro–optical parameters
URI
https://doi.org/10.1016/S0022-2860(99)00022-8
https://hdl.handle.net/11413/2578
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  • Makaleler / Articles [293]

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İstanbul Kültür University

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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