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On the unusual IR spectra of the pentachlorophenol - trimethylamine complex in low temperature matrices.
Autorzy
Rok wydania
2016
Czasopismo
Numer woluminu
660
Strony
102-106
DOI
10.1016/j.cplett.2016.07.052
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Usually the stretching vibration of the A-H group in hydrogen-bonded complexes gives an intense, broad absorption in the IR spectrum. However in a few complexes it has proved difficult to detect this absorption in low temperature matrices. In this work the Ratajczak-Yaremko vibrational model of the hydrogen bond has been applied to simulate the IR spectrum obtained for one such complex: the pentachlorophenol-trimethylamine, PCP-TMA, hydrogen bonded complex isolated in an argon matrix. Quantum chemical calculations have also been carried out to gain further insight into this complex.
Słowa kluczowe
hydrogen bonds, Strong anharmonic coupling, infrared spectra, B3LYP
Adres publiczny
http://dx.doi.org/10.1016/j.cplett.2016.07.052
Strona internetowa wydawcy
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