The Importance of Molecular Vibrations: The Sign Change of the Optical Rotation of Methyloxirane | Zendy

Ruud Kenneth | Zendy; Zanasi Riccardo | Zendy

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The Importance of Molecular Vibrations: The Sign Change of the Optical Rotation of Methyloxirane

Author(s) -

Ruud Kenneth,

Zanasi Riccardo

Publication year - 2005

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200500642

Subject(s) - sign (mathematics) , rotation (mathematics) , optical rotation , physics , point (geometry) , wavelength , zero (linguistics) , vibration , cluster (spacecraft) , optics , quantum mechanics , mathematics , mathematical analysis , geometry , computer science , linguistics , philosophy , programming language

Sign language : The experimentally observed sign change of the optical rotation of ( S )‐methyloxirane when varying the wavelength of incident light from 589 to 355 nm is a result of zero‐point vibrational corrections. Agreement between theory and experiment is obtained when coupled‐cluster (CC3) equilibrium optical rotations are combined with the reported zero‐point vibrational (ZPV) contributions (see picture).

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