Origin of chiral discrimination by a two-dimensionally chiral self-assembled monolayer: A quantum chemical study

Tomohiro Nishikawa, Tsukasa Torimoto, Takuya Nakanishi, Tetsuya Osaka, Bunsho Ohtani

研究成果: Article

2 引用 (Scopus)

抜粋

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 (1 1 1) 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.

元の言語English
ページ(範囲)502-507
ページ数6
ジャーナルChemical Physics Letters
432
発行部数4-6
DOI
出版物ステータスPublished - 2006 12 11

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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