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Circular dichroism calculation for natural products

期刊

JOURNAL OF NATURAL MEDICINES
卷 68, 期 1, 页码 1-10

出版社

SPRINGER JAPAN KK
DOI: 10.1007/s11418-013-0768-x

关键词

Circular dichroism; Absolute configuration; Density functional theory

资金

  1. Ministry of Education, Culture, Sports, Science, and Technology of Japan

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Determination of the absolute configuration (AC) is often a challenging aspect in the structure elucidation of natural products. When chiral compounds possess appropriate chromophore(s), electronic circular dichroism (ECD) may provide a powerful approach to the determination of their absolute configuration. Recently, ECD calculations by time-dependent density functional theory (TDDFT) have come to be used more commonly. In the present review, we give several examples of recent studies using TDDFT-calculated ECD spectra for the AC determination of natural products.

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