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Infrared And Raman Spectroscopic And Quantum Chemical Investigations Of Zinc Halide Complexes Of 3-Aminoquinoline

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Author
Özel, Ayşen E.
Çelik, Sefa
Akyüz, Sevim
Keçel, Serda
Type
Article
Date
2010-05-26
Language
en_US
Metadata
Show full item record
Abstract
In this study detailed structure and vibrational spectra of free and coordinated 3-AQ (3-AQ = 3-aminoquinoline; C(9)H(8)N(2)) have been reported. Vibrational wavenumbers of free 3-AQ its Zn halide complexes {Zn(3-AQ)(2)X(2); where X = Cl or Br} and 3-AQ interacting with water molecules have been calculated using a harmonic approach at B3LYP/6-31G(d,p) and B3LYP/6-31++G(d,p) theory levels. The wavenumbers of free 3-AQ have also been calculated using a harmonic approach at B3LYP/6-31++G(d,p) theory levels. The fundamental vibrational modes were characterized by their total energy distribution (TED%). The Zn(3-AQ)(2)X(2) complexes have been prepared for the first time and their vibrational wavenumbers were reported, in comparison with the calculated results. Coordination through the ring nitrogen effects on the vibrational wavenumbers of 3-AQ were investigated and the coordination sensitive modes of 3-AQ were determined. It was found that, the wavenumber-shifts due to complex formation depend on the halogen group and decreases in the order Cl > Br for the Zn(3-AQ)(2)X(2) complexes. (C) 2010 Elsevier B.V. All rights reserved.
Subject
Density functional analysis (DFT)
3-Aminoquinoline
Zinc halide complexes
Vibrational wavenumbers
normal-coordinate analysis
vibrational-spectra
8-aminoquinoline
assignments
Çinko-halojenür-kompleksleri
titreşim dalgasayıları
titreşim-spektrumları
URI
http://hdl.handle.net/11413/1308
Collections
  • Makaleler / Articles [293]
  • Scopus Publications [724]
  • WoS Publications [1016]

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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