| 摘要 |
PROBLEM TO BE SOLVED: To estimate the structure of an unstable transition metal complex existing in an organic composite reaction system. SOLUTION: This structure estimation device 1 includes: an acquiring part 2 for acquiring specific information for specifying the transition metal complex, an organic solvent and an object compound respectively; a candidate determining part 4 for determining a plurality of transition metal complexes that may be produced by mixing the transition metal complex, organic solvent and object compound indicated by the specific information, as transition metal complex candidates; a spectrum predicting part 7 for predicting at least some ultraviolet visible absorption spectrums of the transition metal complex candidates; and a comparing part 9 for comparing the predicted ultraviolet absorption spectrums predicted by the spectrum predicting part 7, with a measured ultraviolet visible absorption spectrum obtained by measuring the ultraviolet visible absorption spectrum of a mixture of the transition metal complex, organic solvent and object compound indicated by the specific information, and specifying the predicted ultraviolet visible absorption spectrum similar to the measured ultraviolet visible absorption spectrum. COPYRIGHT: (C)2010,JPO&INPIT
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