By re-formulating Raman and ROA invariants we provide ground for the definition of robust modes in ROA spectroscopy. Introduction of two parameters defining robustness helps characterization and assignment of ROA bands. Application and use of robustness parameters to [n]helicenes and oxirane/thiirane derivatives is presented.

Mode robustness in Raman Optical Activity

TOMMASINI, MATTEO MARIA SAVERIO;
2014-01-01

Abstract

By re-formulating Raman and ROA invariants we provide ground for the definition of robust modes in ROA spectroscopy. Introduction of two parameters defining robustness helps characterization and assignment of ROA bands. Application and use of robustness parameters to [n]helicenes and oxirane/thiirane derivatives is presented.
Raman Optical Activity (ROA); DFT calculations
File in questo prodotto:
File Dimensione Formato  
JCTC-Tommasini-2014.pdf

Accesso riservato

: Post-Print (DRAFT o Author’s Accepted Manuscript-AAM)
Dimensione 2.32 MB
Formato Adobe PDF
2.32 MB Adobe PDF   Visualizza/Apri
Mode robustness in raman optical activity_11311-865344_Tommasini.pdf

accesso aperto

: Post-Print (DRAFT o Author’s Accepted Manuscript-AAM)
Dimensione 2.2 MB
Formato Adobe PDF
2.2 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11311/865344
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 18
  • ???jsp.display-item.citation.isi??? 18
social impact