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- Title
Spectroscopy Challenge 1.
- Authors
Pretsch, Ernö; Zenobi, Renato
- Abstract
The article presents information about spectroscopic techniques that are particularly powerful for structure elucidation when several methods are combined. The type of structure and the extent to which structural features are reflected in the different spectroscopic data will always play a decisive role. In any case, three, sometimes overlapping, phases can be identified. In the first phase, one tries to identify substructures and structural features present with high probability. In the second phase, these building blocks are combined into full, meaningful structures. In the third phase, the spectral characteristics and features of the candidate structures are predicted and checked against the experimental evidence.
- Subjects
SPECTRUM analysis; QUALITATIVE chemical analysis; PHASE equilibrium; PHYSICAL &; theoretical chemistry; PHYSICAL sciences; PROBABILITY theory
- Publication
Analytical & Bioanalytical Chemistry, 2003, Vol 375, Issue 6, p719
- ISSN
1618-2642
- Publication type
Article
- DOI
10.1007/s00216-003-1772-x