| Searching for a good candidate to perform a chiral nuclear magnetic resonance experiment in disordered phase: a study of 8,9-difluoro-P-hexahelicene. | |
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MedLine Citation:
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PMID: 22135804 Owner: NLM Status: In-Process |
Abstract/OtherAbstract:
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Calculations of nuclear magnetic shielding polarizabilities of the P-hexahelicene and 8,9-difluoro-P-hexahelicene molecules have been accomplished at the CTOCD-DZ2/6-31G(d,p) level. Pseudoscalars of the nuclear magnetic shielding polarizability are the largest reported so far for second-row atoms. The rf voltage generated by the rotating chiral electric polarization, induced by the permanent magnetic dipole moment of the (19)F nuclei of the 8,9-difluoro-P-hexahelicene and by the spectrometer's magnetic field, is predicted to be ≈10 nV, that is, detectable with modern equipments. |
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Authors:
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Guglielmo Monaco; Riccardo Zanasi |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: Chirality Volume: 23 ISSN: 1520-636X ISO Abbreviation: Chirality Publication Date: 2011 Oct |
Date Detail:
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Created Date: 2011-12-01 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 8914261 Medline TA: Chirality Country: United States |
Other Details:
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Languages: eng Pagination: 752-5 Citation Subset: - |
Copyright Information:
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© 2011 Wiley-Liss, Inc. |
Affiliation:
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Dipartimento di Chimica e Biologia, Università degli Studi di Salerno, via Ponte don Melillo, Fisciano, Salerno, Italy |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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