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Persistent URL http://purl.org/net/epubs/work/43282
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Record Id 43282
Title The vibrational spectrum of indole
Abstract We have obtained the first inelastic neutron scattering spectra of indole, a fundamental component of many important bio-molecular systems, including the amino acid tryptophan. Spectra of the powder, aligned crystals, and 1, 3 deutero indole are given. This has provided the first clear comparison with ab-initio frequency calculations of indole in the vapour and crystal phases. Details are extracted and assignment schemes given. The use of these indole assignments as a basis for understanding the spectra of substituted indoles is demonstrated by the treatment of the INS spectra of the 5- and 6-fluoro indoles.
Organisation CCLRC , ISIS , ISIS-TOSCA
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Language English (EN)
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Journal Article Chem Phys 345, no. 2-3 (2007): 230-238. doi:10.1016/j.chemphys.2007.06.007 Indole-final-post-refs.doc 2007