Pure rotational spectrum and molecular geometry of an isolated complex of imidazole and urea
Blanco, Susana
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816208.pdf
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https://hdl.handle.net/2142/91509
Description
Title
Pure rotational spectrum and molecular geometry of an isolated complex of imidazole and urea
Author(s)
Blanco, Susana
Contributor(s)
Legon, Anthony
Walker, Nick
Medcraft, Chris
Mullaney, John C.
Issue Date
2016-06-23
Keyword(s)
Clusters/Complexes
Date of Ingest
2017-01-26T21:37:39Z
Abstract
The investigation of the dynamics of biomolecules is crucial to understand biological processes. For this purpose, the initial research investigations on the conformational behavior of isolated biomolecules should go one further step by investigating the structure and conformation of complexes formed in supersonic jets by different biomolecules to model the interactions which take place in biological media. In this work, the imidazole-urea complex formed in a supersonic expansion has been investigated by using microwave spectroscopy. In parallel, the conformational space of the complex has been explored with ab initio calculations. The broadband microwave spectrum (8-18GHz frequency interval) has been recorded using a Chirped Pulse Fourier Transform Microwave spectrometer (CP-FTMW). The solid sample was formed by mixing pure samples of imidazole and urea within a solid copper matrix, and was vaporized using the second harmonic of a pulsed Nd:YAG laser. The analysis of the experimental data in the light of the theoretical predictions has allowed the unambiguous identification of the observed conformers in the microwave spectrum.
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2224.pdf
816208.pdf
816208.pptx
