Ferrocenes with simple chiral substituents: an in-depth theoretical and experimental VCD and ECD study-Reference-Cited by-同舟云学术

Ferrocenes with simple chiral substituents: an in-depth theoretical and experimental VCD and ECD study

Published:2019 Issue:18 Volume:21 Page:9419-9432
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Patti Angela¹²³^ORCID,Pedotti Sonia¹²³,Mazzeo Giuseppe⁴⁵⁶³,Longhi Giovanna⁴⁵⁶³,Abbate Sergio⁴⁵⁶³^ORCID,Paoloni Lorenzo⁷⁸³,Bloino Julien⁷⁸³⁹¹⁰^ORCID,Rampino Sergio⁷⁸³^ORCID,Barone Vincenzo⁷⁸³^ORCID

Affiliation:

1. Institute of Biomolecular Chemistry – CNR

2. 95126 Catania

3. Italy

4. Dipartimento di Medicina Molecolare e Traslazionale (DMMT)

5. Università di Brescia

6. 25123 Brescia

7. Scuola Normale Superiore

8. I-56126 Pisa

9. Consiglio Nazionale delle Ricerche

10. Istituto di Chimica dei Composti OrganoMetallici (CNR-ICCOM) Area della Ricerca CNR

Abstract

Ferrocenes bearing chiral pendants are investigated through VCD and ECD. The VCD spectra are best interpreted by GVPT2-anharmonic DFT calculations. Diagnostic bands related to the absolute configuration of the title compounds are found in both kinds of spectra.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP00437H

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