Positive chirality measures from chiroptical pseudoscalars: applications to carbon-containing molecular systems

• Veröffentlicht in: Functional Materials
• Datum: 2015
• ISSN: 1027-5495
• 1. Verfasser: Luzanov, A.V.
• Format: Artikel
• Sprache: Englisch
• Veröffentlicht: НТК «Інститут монокристалів» НАН України 2015
• Schlagworte: Modeling and simulation
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/119551
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: Positive chirality measures from chiroptical pseudoscalars: applications to carbon-containing molecular systems / A.V. Luzanov // Functional Materials. — 2015. — Т. 22, № 3. — С. 355-364. — Бібліогр.: 48 назв. — англ.

A new chirality quantification scheme is proposed based on a special procedure transforming molecular pseudoscalar into positive index. The optical rotatory strengths (estimated semiempirically) are used for the corresponding characterization of chiral molecules. We show several specific examples of...