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Soleimani Gorgani, S., Samadizadeh, M. (2016). Design of a New Nano Hinge Molecular Machine Based on Nitrogen Inversion: Computational Investigation. Iranian Journal of Chemistry and Chemical Engineering (IJCCE), 35(1), 11-15.
Sara Soleimani Gorgani; Marjaneh Samadizadeh. "Design of a New Nano Hinge Molecular Machine Based on Nitrogen Inversion: Computational Investigation". Iranian Journal of Chemistry and Chemical Engineering (IJCCE), 35, 1, 2016, 11-15.
Soleimani Gorgani, S., Samadizadeh, M. (2016). 'Design of a New Nano Hinge Molecular Machine Based on Nitrogen Inversion: Computational Investigation', Iranian Journal of Chemistry and Chemical Engineering (IJCCE), 35(1), pp. 11-15.
Soleimani Gorgani, S., Samadizadeh, M. Design of a New Nano Hinge Molecular Machine Based on Nitrogen Inversion: Computational Investigation. Iranian Journal of Chemistry and Chemical Engineering (IJCCE), 2016; 35(1): 11-15.

Design of a New Nano Hinge Molecular Machine Based on Nitrogen Inversion: Computational Investigation

Article 2, Volume 35, Issue 1, January and February 2016, Page 11-15  XML PDF (431 K)
Document Type: Research Article
Authors
Sara Soleimani Gorgani1; Marjaneh Samadizadeh 2
1Young Researchers and Elite Club, Central Tehran Branch, Islamic Azad University, P.O. Box 13185-768 Tehran, I.R. IRAN
2Department of Chemistry, Faculty of Basic Sciences, Central Tehran Branch, Islamic Azad University, P.O. Box 13185-768 Tehran, I.R. IRAN
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; Configuration changes; Nitrogen inversion; Amide; ab initio calculations
Main Subjects
Computational Chemistry
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