Induced Circular Dichroism and Conformational Analysis of 2,2- Binaphthyl Esters Derived from Primary Alcohols Possessing a Stereogenic Center in the β-Position

Title: Induced Circular Dichroism and Conformational Analysis of 2,2- Binaphthyl Esters Derived from Primary Alcohols Possessing a Stereogenic Center in the β-Position

Volume: 6 Issue: 2

Author(s): Shinzo Hosoi, Takeyuki Tanaka, Ichiro Takahashi, Akiyo Sakushima and Yukiteru Katsumoto

Affiliation:

Keywords: Induced circular dichroism, TD-DFT, exciton coupling, chirality, molecular mechanics, conformation

Abstract: Circular dichroism calculations and conformational analyses of 2,2-binaphthyl esters derived from primary alcohols with a chiral center in the β-position of the hydroxy group were performed using the time-dependent density functional theory (TD-DFT) method, suggesting that the TD-DFT is highly effective for determining the absolute configuration of the binaphthyl esters.

Cite this article as:

Hosoi Shinzo, Tanaka Takeyuki, Takahashi Ichiro, Sakushima Akiyo and Katsumoto Yukiteru, Induced Circular Dichroism and Conformational Analysis of 2,2- Binaphthyl Esters Derived from Primary Alcohols Possessing a Stereogenic Center in the β-Position, Letters in Organic Chemistry 2009; 6 (2) . https://dx.doi.org/10.2174/157017809787582753