شماره ركورد كنفرانس :
5328
عنوان مقاله :
B-heterocyclic plumbylenes: A computational study
پديدآورندگان :
Golzadeh Babak s.kazeri@yahoo.com Address: Department of Chemistry, Payame Noor University, P.O. Box 19395-3697, Tehran, Iran
كليدواژه :
Boron heterocyclic plumbylenes , singlet , triplet , energy gap
عنوان كنفرانس :
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
چكيده فارسي :
B-heterocyclic plumbylenes (BHPbs) are compounds in which the nitrogen atoms of an Arduengo cyclic carbene are replaced with electron deficient boron atoms and the divalent carbon atom is replaced with Pb. Here we study the geometrical parameters and stability of these species via their singlet-triplet energy gaps in relation with their HOMO-LUMO energy gap.
