Experimental and theoretical investigation of the structure and spectral characteristics of bis(4-aza-9-fluorenone)dibromocopper(II)

The molecular and crystal structure of bis(4-aza-9-fluorenone) dibromocopper(II) [CuL2Br2] was determined by X-ray diffraction. The organic molecule is coordinated in the monodentate fashion with participation of lone electron pairs of heterocyclic nitrogen atoms of 4-aza-9-fluorenone. The coordination unit parameters were calculated by DFT with PBE functional. The Cu-Br and Cu-N coordination bonds are covalent, the electron pairs of the ligand are transferred to the vacant orbitals of the central ion. The computational methods adequately reproduce the structure of the IR spectrum of the complex. © Pleiades Publishing, Ltd., 2010.

Authors
Koval'chukova O.V. 1 , Zavodnik V.E.2 , Shestakov A.F.3 , Strashnova S.B. 1 , Zaitsev B.E. 1
Editors
-
Publisher
IAPC Nauka/Interperiodica
Number of issue
2
Language
English
Pages
195-200
Status
Published
Department
-
Number
-
Volume
55
Year
2010
Organizations
  • 1 Peoples Friendship University, ul. Miklukho-Maklaya 6, Moscow, 117198, Russian Federation
  • 2 Karpov Research Institute of Physical Chemistry, ul. Vorontsovo pole 10, Moscow, 103064, Russian Federation
  • 3 Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432, Russian Federation
Keywords
Bromine compounds; Copper compounds; X ray diffraction; Coordination bonds; Coordination unit; Heterocyclic nitrogen; Lone electron pair; Organic molecules; Spectral characteristics; Theoretical investigations; Vacant orbitals; Crystal structure
Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/2844/