Optical Rotation of Achiral Pentaerythritol

The optical rotatory power of achiral crystals of achiral pentaerythritol molecules was measured. The maximum rotations were found to be ±6°/mm. The quantum mechanically computed rotation of pentaerythritol molecules using linear response theory was 6 times larger although the experimental and theor...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2006-11, Vol.128 (46), p.14746-14747
Main Authors: Claborn, Kacey, Herreros Cedres, Javier, Isborn, Christine, Zozulya, Alexey, Weckert, Edgar, Kaminsky, Werner, Kahr, Bart
Format: Article
Language:English
Subjects:
Chemistry
Exact sciences and technology
General and physical chemistry
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Summary:The optical rotatory power of achiral crystals of achiral pentaerythritol molecules was measured. The maximum rotations were found to be ±6°/mm. The quantum mechanically computed rotation of pentaerythritol molecules using linear response theory was 6 times larger although the experimental and theoretical tensors were similarly oriented to within 5°.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja064631q