2017年4月
Absolute configuration determination through the unique intramolecular excitonic coupling in the circular dichroisms of o,p '-DDT and o,p '-DDD. A combined experimental and theoretical study
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
- ,
- ,
- ,
- 巻
- 16
- 号
- 4
- 開始ページ
- 606
- 終了ページ
- 610
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1039/c6pp00438e
- 出版者・発行元
- ROYAL SOC CHEMISTRY
Circular dichroisms (CDs) of the o, p'-isomers of 1,1,1-trichloro-and 1,1-dichloro-2,2-bis(chlorophenyl) ethanes (DDT and DDD) were investigated experimentally and theoretically. A series of strong Cotton effect peaks in a characteristic negative-negative-positive-negative, or its mirror-imaged, pattern were observed in the CD spectra of these persistent organic pollutants. The theoretical CD spectra at the SAC-CI/B95(d) and RI-CC2/def2-TZVPP levels well reproduced the experimental ones, enabling us to unambiguously assign the absolute configuration of (+)-DDT and (-)-DDD as S.
- リンク情報
- ID情報
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- DOI : 10.1039/c6pp00438e
- ISSN : 1474-905X
- eISSN : 1474-9092
- ORCIDのPut Code : 40268212
- PubMed ID : 28186216
- Web of Science ID : WOS:000399384300017