شماره ركورد كنفرانس
4865
عنوان مقاله
Interaction of CO and NO with Heme-FeIII in Gas Phase
پديدآورندگان
Aarabia M aarabi.chem@yahoo.com University of Isfahan؛ , Shafizadehb N niloufar.shafizadeh@u-psud.fr University of Paris-sud؛ , de la Landec A aurelien.de-la-lande@u-psud.fr University of Paris-sud؛ , Soepd B benoit.soep@cea.fr University of Paris-sud؛ , Omidyana R reza.omidyan@u-psud.fr University of Isfahan؛
تعداد صفحه
2
كليدواژه
ferric heme , DFT calculations , ligand binding , ferric porphyrin.
سال انتشار
1398
عنوان كنفرانس
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
زبان مدرك
انگليسي
چكيده فارسي
The binding energy of CO and NO to isolated ferric heme, [FeIIIP]+ has been determined in the presence and absence of methylimidazole in 5th axial position, as histidine model at DFT/ADFT levels and compared with experimental results of a cooled ion-trap molecular beam set-up. It is found that the presence of methylimidazole strongly weakens the FeIII–ligand bond and affects the nature of interaction prominently.
كشور
ايران
لينک به اين مدرک