Rotational strength sign and normal modes description: A theoretical and experimental comparative study in bicyclic terpenes

A comparative study of the Vibrational circular dichroism (VCD) patterns in three bicyclic terpenes with related molecular structures, (+)‐(R)‐α‐pinene, (−)‐(S)‐β‐pinene, and (−)‐(S)‐verbenone, is carried out. The study is done in the light of normal mode descriptions from a previous vibrational ana...

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Bibliographic Details
Published in:Chirality (New York, N.Y.) N.Y.), 2010, Vol.22 (Suppl. 1E), p.E123-E129
Main Authors: Urena, Francisco Partal, Moreno, Juan Ramon Aviles, Gonzalez, Juan Jesus Lopez
Format: Article
Language:English
Subjects:
Chirality
Circularity
Dichroism
Molecular structure
Reproduction
Rotational
Strength
Terpenes
VCD analysis
verbenone
vibrational analysis
α-pinene
β-pinene
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Summary:A comparative study of the Vibrational circular dichroism (VCD) patterns in three bicyclic terpenes with related molecular structures, (+)‐(R)‐α‐pinene, (−)‐(S)‐β‐pinene, and (−)‐(S)‐verbenone, is carried out. The study is done in the light of normal mode descriptions from a previous vibrational analysis. Although normal modes corresponding to identical molecular moieties shown the same description, rotational strength does not follow the Cahn‐Ingold‐Prelog descriptor‐related sign in some cases, i.e., they do not present opposite signs depending on stereochemical description of the molecule. Chirality, 2010. © 2010 Wiley‐Liss, Inc.
ISSN:0899-0042
1520-636X
1520-636X
DOI:10.1002/chir.20899