شماره ركورد كنفرانس
5328
عنوان مقاله
Validation of potential energy distribution by VEDA in vibrational assignment some of Copper (II) complexes with β-diketone ligands
پديدآورندگان
Ahmadi Faezeh faezeh.ahmadi@mail.um.ac.ir Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran , Vakilia Mohammad vakili-m@um.ac.ir Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran , Darugara Vahidreza vahidrezadarugar@mail.um.ac.ir Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran
تعداد صفحه
2
كليدواژه
VEDA , DFT , PED , GaussView , vibrational shifts.
سال انتشار
1400
عنوان كنفرانس
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
زبان مدرك
انگليسي
چكيده فارسي
In this research, validated the PED results were applied on the vibrational spectra of Copper (II) complexes of -diketones family. The PED contributions compared with the GaussView animation of reported assignments, and their experimental IR and Raman shifts upon change of different substitution in -position.
كشور
ايران
لينک به اين مدرک