INVESTIGATING THE EFFECTS OF HETROATOMS ON UNIDIRECTIONAL ROTARY MOLECULAR MOTORS BASED ON AB INITIO COMPUTATION
Publish place: The first national conference on new technologies in Chemistry & Chemical Engineering
Publish Year: 1392
Type: Conference paper
Language: English
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Document National Code:
NCNC01_506
Index date: 5 September 2013
INVESTIGATING THE EFFECTS OF HETROATOMS ON UNIDIRECTIONAL ROTARY MOLECULAR MOTORS BASED ON AB INITIO COMPUTATION abstract
In this paper have focused on construction of devices based on helical alkenes, which display a unidirectional rotation around the central C-Cdouble bond in four isomerization. As a result, arepetitive 360° rotation is possible for this compound. These steps induced by light and temperature changes. Ab initio quantum mechanicalcalculations showed the function of the light-driven motors and revealed that these compounds have morestable isomers with axial orientation of the methyl substituent than equatorial orientation. The theoretical study of the hetro-atoms effect on these motors showed that stability has changed.
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INVESTIGATING THE EFFECTS OF HETROATOMS ON UNIDIRECTIONAL ROTARY MOLECULAR MOTORS BASED ON AB INITIO COMPUTATION authors
Fatemeh Fallahpour
Department of Chemistry, Faculty of basic science, Central Tehran Branch, Islamic Azad University
Marjaneh Marjaneh
Department of Chemistry, Faculty of basic science, Central Tehran Branch, Islamic Azad University
Nader Zebarjad Shiraz
Zebarjad Shiraz