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Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation study

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Abstract

Aggregates of pyrrole with nitrogen are studied by Fourier transform infrared spectroscopy in supersonic jet expansions as well as in neon, argon and nitrogen cryomatrices. The NH stretching vibration undergoes a significant downshift upon switching from isolated gas phase conditions to bulk nitrogen matrices, which can be reconstructed incrementally by stepwise cluster formation with an increasing number of nitrogen molecules both in supersonic expansions and neon or argon matrices. The modelling of the bulk matrix shift by finite cluster theory remains an interesting challenge. Self-aggregation of pyrrole also yields the first spectra of the homodimer and -trimer in a neon matrix, showing particularly small (up to 10 cm−1) deviations from the isolated gas phase values.

Graphical abstract: Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation study

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Publication details

The article was received on 14 Nov 2018, accepted on 14 Dec 2018 and first published on 14 Dec 2018


Article type: Paper
DOI: 10.1039/C8CP07053A
Citation: Phys. Chem. Chem. Phys., 2019, Advance Article
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    Incremental NH stretching downshift through stepwise nitrogen complexation of pyrrole: a combined jet expansion and matrix isolation study

    S. Oswald, M. A. Suhm and S. Coussan, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C8CP07053A

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