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http://yadda.icm.edu.pl:80/baztech/element/bwmeta1.element.baztech-article-BUJ6-0024-0103

Czasopismo

Polish Journal of Chemistry

Tytuł artykułu

The Vibrational Structure of Dibenzo-p-dioxin. IR Linear Dichroism, Raman Spectroscopy, and Quantum Chemical Calculations

Autorzy Eriksen, T. K.  Hansen, B. K. V.  Spanget-Larsen, J. 
Treść / Zawartość
Warianty tytułu
Języki publikacji EN
Abstrakty
EN The title compound (DD) was investigated by IR and Raman spectroscopy, including FTIR linear dichroism (LD) measurements on samples aligned in stretched polyethylene. The observed IR and Raman wavenumbers, IR polarization directions, and relative intensities were generally well reproduced by the results of a harmonic analysis based on B3LYP/cc-pVTZ density functional the ory (DFT). The combined experimental and theoretical results led to proposal of a nearly complete assignment of the fundamental vibrational transitions of DD, involving reassignment of several transitions. The results are consistent with the assumption of molecular D2h symmetry, thereby supporting the conclusion reached earlier by Gastilovich and coworkers.
Słowa kluczowe
EN dioxins   vibrational transitions   infrared spectroscopy   Raman spectroscopy   linear dichroism   polarization directions   density functional theory  
Wydawca Polskie Towarzystwo Chemiczne
Czasopismo Polish Journal of Chemistry
Rocznik 2008
Tom Vol. 82, nr 4
Strony 921--934
Opis fizyczny Bibliogr. 17 poz., rys.
Twórcy
autor Eriksen, T. K.
autor Hansen, B. K. V.
autor Spanget-Larsen, J.
Bibliografia
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