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Origin of chiral discrimination by a two-dimensionally chiral self-assembled monolayer : A quantum chemical study
| Title: | Origin of chiral discrimination by a two-dimensionally chiral self-assembled monolayer : A quantum chemical study |
| Authors: | Nishikawa, Tomohiro Browse this author | | Torimoto, Tsukasa Browse this author | | Nakanishi, Takuya Browse this author | | Osaka, Tetsuya Browse this author | | Ohtani, Bunsho Browse this author →KAKEN DB |
| Issue Date: | 11-Dec-2006 |
| Publisher: | Elsevier B.V. |
| Journal Title: | Chemical Physics Letters |
| Volume: | 432 |
| Issue: | 4-6 |
| Start Page: | 502 |
| End Page: | 507 |
| Publisher DOI: | 10.1016/j.cplett.2006.10.106 |
| Abstract: | Structural and energetic investigations based on semiempirical PM5 and ab initio HF and MP2 calculations suggested that the self-assembled monolayer of an atropisomeric compound, (R)- or (S)-1,1′-binaphthalene-2,2′-dithiol (BNSH), on a gold (111) surface selectively adsorbs one enantiomer of phenylalanine (Phe), resulting in chiral discrimination, through hydrophobic, cation(–NH3+)-π and NH(Phe)-π(BNSH) interactions in a nanometer-sized screw-hole-like pocket composed of three BNSH molecules in the monolayer. |
| Relation: | http://www.sciencedirect.com/science/journal/00092614 |
| Type: | article (author version) |
| URI: | http://hdl.handle.net/2115/17175 |
| Appears in Collections: | 触媒科学研究所 (Institute for Catalysis) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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Submitter: 大谷 文章
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