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Coordination complexes of slight tetrylene with platinum(II)-8-hydroxyquinolines: Structure and bonding analysis
Coordination complexes of slight tetrylene with platinum(II)-8-hydroxyquinolines: Structure and bonding analysis
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Date
2020
Authors
Huynh Thi Phuong Loan
Hoang Van Duc
Phan Tu Quy
Bui Thi Phuong Thuy
Pham Van Tat
Duong Tuan Quang
Nguyen Thi Ai Nhung
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Abstract
The structure and bonding situation in platinum complexes containing slight tetrylene ligands [{PtCl-C9H6NO}-NHE] (Pt-NHE) with E = C, Si, Ge were examined by DFT calculations with the levels are BP86/def2-SVP and BP86/def2-TZVPP. The predicted equilibrium structure of the ligands NHE in Pt-NHE are bonded in distorted end-on way to PtCl-8-hydroxyquinolines fragment with the bending angle, , exhibits the biggest value in carbenes systems then slightly decrease from Pt-NHC to Pt-NHGe. Bond dissociation energies (BDEs), De (kcal.mol-1), decrease from the carbene complex to the weaker bonded silylene and germylene manners. The BDE when considering dispersion correction at the BP86-D3(BJ)/def2-TZVPP level confirms that Pt-E bond in Pt-NHE belongs to the effect of the bulky group in slight tetrylene NHE and Pt(II)-group fragment which makes the intrinsic Pt-E bond strength decreases from carbene to germylene complexes. The hybridization of atoms E and Pt have large p characters while the hybridization of atom Pt has greater d character which lead to the Pt-E bond possesses not only NHE→{PtCl-C9H6NO} strong -donation but also a significant contribution π-donation NHE→{PtCl-C9H6NO} and weak π-backdonation metal-ligand NHE←{PtCl-C9H6NO} in complexes Pt-NHE.
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Keywords
Tetrylene,
density functional theory (DFT),
donor-acceptor interaction,
platinum(II)-8-hydroxyquinolines.