具有不对称定子结构的分子陀螺仪中物理性能和旋转动力学的改善。

Improved physical properties and rotational dynamics in a molecular gyroscope with an asymmetric stator structure.

作者信息

Karlen Steven D, Godinez Carlos E, Garcia-Garibay Miguel A

机构信息

Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569, USA.

出版信息

Org Lett. 2006 Aug 3;8(16):3417-20. doi: 10.1021/ol060894d.

DOI:10.1021/ol060894d

PMID:16869624

Abstract

[structure: see text] A molecular gyroscope consisting of a 1,4-diethynylphenylene rotator linked to trityl and triptycyl groups (3) showed significantly improved physical properties and faster rotational dynamics than analogous symmetric bis(trityl) (1) or bis(triptycyl) (2) structures. An activation energy of 7.9 kcal/mol for 3 was determined by 2H NMR. This is ca. 4-6 kcal/mol lower than that of compound 1. The different dynamics of the three compounds can be qualitatively understood in terms of their different packing coefficients.

摘要

[结构：见正文] 一种由与三芳基甲基和三棱柱基相连的1,4 - 二乙炔基苯旋转体组成的分子陀螺仪（3），与类似的对称双（三芳基甲基）（1）或双（三棱柱基）（2）结构相比，其物理性质有显著改善，旋转动力学更快。通过2H NMR测定3的活化能为7.9 kcal/mol。这比化合物1的活化能低约4 - 6 kcal/mol。这三种化合物不同的动力学可以根据它们不同的堆积系数进行定性理解。