On the unusual IR spectra of the pentachlorophenol – Trimethylamine complex in low temperature matrices

• DOI: 10.1016/j.cplett.2016.07.052
• Publication Date: 2016-07-28T17:23:57Z
• Authors: Maria Wierzejewska; Anatoly M. Yaremko; Serdej V. Virko; Austin J. Barnes; Henryk Ratajczak
• Keywords: Pentachlorophenol; Matrix (chemical analysis)

Abstract 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.