Density functional theory prediction of enhanced photomagnetic properties of nitronyl nitroxide and imino nitroxide diradicals with substituded dihydropyrene couplers

Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/100/207

Title:	Density functional theory prediction of enhanced photomagnetic properties of nitronyl nitroxide and imino nitroxide diradicals with substituded dihydropyrene couplers
Authors:	ALI, ME DATTA, SN
Keywords:	orla in the first author i am unsure if md is a title for the man or if its part of his name
Issue Date:	2006
Publisher:	AMER CHEMICAL SOC
Citation:	JOURNAL OF PHYSICAL CHEMISTRY A,110(36)10525-10527
Abstract:	We predict the photoswitching magnetic properties of four substituted dihydropyrenes from density functional broken-symmetry calculations. The magnetic exchange coupling constants differ up to 9.44 cm(-1). The intramolecular exchange interactions are ferromagnetic in nature. The calculated coupling constants are much larger than those reported earlier for photomagnetic organic molecules.
URI:	http://dx.doi.org/10.1021/jp064913c http://dspace.library.iitb.ac.in/xmlui/handle/10054/13997 http://hdl.handle.net/100/207
ISSN:	1089-5639
Appears in Collections:	Letter

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