Title of article :
Design of a New Nano Hinge Molecular Machine Based on Nitrogen Inversion: Computational Investigation
Author/Authors :
Soleimani Gorgani، Sara نويسنده Young Researchers and Elite Club,Islamic Azad University, Central Tehran Branch,Tehran,Iran , , Samadizadeh، Marjaneh نويسنده Faculty of Basic Sciences,Department of Chemistry,Islamic Azad University, Central Tehran Branch,Tehran,Iran ,
Issue Information :
فصلنامه با شماره پیاپی 77 سال 2016
Pages :
5
From page :
11
To page :
15
Abstract :
Ab initio calculations were employed to investigate nitrogen inversion as a configuration change that can supply an infinitely useful switchable control mechanism for some complex systems. In this paper, design of a new artificial molecular nanohinge is discussed based on nitrogen inversion in which reciprocating motion of substituent in effect of inversion phenomenon, led to an open–close motion in the molecule. Since the simple secondary amines easily face inversion process in the room temperature, a carboxamide derivative was selected as the initial driver for the molecular motion. The most critical finding from this study was that, following the displacement of the substituent attached to the amide nitrogen,making the xanthenes planar be dislocated and form hinge like reversible move.
Keywords :
Nanohinge , Nitrogen inversion , amide , Ab initio calculations , Configuration changes
Journal title :
Iranian Journal of Chemistry and Chemical Engineering (IJCCE)
Serial Year :
2016
Journal title :
Iranian Journal of Chemistry and Chemical Engineering (IJCCE)
Record number :
2397612
Link To Document :
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