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Int. J. Mol. Sci. 2014, 15(6), 9844-9858; doi:10.3390/ijms15069844
Article

Qualitative Analysis of the Helical Electronic Energy of Inherently Chiral Calix[4]arenes: An Approach to Effectively Assign Their Absolute Configuration

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Received: 27 March 2014; in revised form: 4 May 2014 / Accepted: 12 May 2014 / Published: 3 June 2014
(This article belongs to the Special Issue Molecular Science for Drug Development and Biomedicine)
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Abstract: For all microhelices on aromatic rings of inherently chiral calix[4]arene, an expression was derived from one approximation and one hypothesis on the basis of the electron-on-a-helix model of Tinoco and Woody as follows: 1/E = μ (HK Δα2) , where μ = 1 for the right-handed microhelix and μ = −1 for the left-handed microhelix; and H and K are constant and greater than zero. The expression correlates microhelical electronic energy (E) with the atom polarizability difference (Δα) on both microhelix ends, which intuitively and clearly shows the impact of helical substituent polarizability on helical electronic energy. The case analysis almost entirely proves that the qualitative analysis of the helical electronic energy of inherently chiral calix[4]arenes with the expression is scientific and can be used to effectively assign their absolute configuration
Keywords: inherently chiral; calix[4]arene; helix theory; absolute configuration inherently chiral; calix[4]arene; helix theory; absolute configuration
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Zheng, S.; Chang, M.-L.; Zhou, J.; Fu, J.-W.; Zhang, Q.-W.; Li, S.-Y.; Qiao, W.; Liu, J.-M. Qualitative Analysis of the Helical Electronic Energy of Inherently Chiral Calix[4]arenes: An Approach to Effectively Assign Their Absolute Configuration. Int. J. Mol. Sci. 2014, 15, 9844-9858.

AMA Style

Zheng S, Chang M-L, Zhou J, Fu J-W, Zhang Q-W, Li S-Y, Qiao W, Liu J-M. Qualitative Analysis of the Helical Electronic Energy of Inherently Chiral Calix[4]arenes: An Approach to Effectively Assign Their Absolute Configuration. International Journal of Molecular Sciences. 2014; 15(6):9844-9858.

Chicago/Turabian Style

Zheng, Shuang; Chang, Ming-Liang; Zhou, Jing; Fu, Jing-Wei; Zhang, Qing-Wei; Li, Shao-Yong; Qiao, Wei; Liu, Jun-Min. 2014. "Qualitative Analysis of the Helical Electronic Energy of Inherently Chiral Calix[4]arenes: An Approach to Effectively Assign Their Absolute Configuration." Int. J. Mol. Sci. 15, no. 6: 9844-9858.



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