Publication:
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
| datacite.subject.fos | oecd::Natural sciences | |
| dc.contributor.author | Huynh Thi Phuong Loan | |
| dc.contributor.author | Hoang Van Duc | |
| dc.contributor.author | Phan Tu Quy | |
| dc.contributor.author | Bui Thi Phuong Thuy | |
| dc.contributor.author | Pham Van Tat | |
| dc.contributor.author | Duong Tuan Quang | |
| dc.contributor.author | Nguyen Thi Ai Nhung | |
| dc.date.accessioned | 2022-11-04T03:57:27Z | |
| dc.date.available | 2022-11-04T03:57:27Z | |
| dc.date.issued | 2020 | |
| dc.description.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. | |
| dc.identifier.doi | 10.1002/vjch.2019000198 | |
| dc.identifier.uri | http://repository.vlu.edu.vn:443/handle/123456789/923 | |
| dc.language.iso | en_US | |
| dc.relation.ispartof | Vietnam Journal of Chemistry | |
| dc.relation.issn | 0866-7144 | |
| dc.subject | Tetrylene | |
| dc.subject | density functional theory (DFT) | |
| dc.subject | donor-acceptor interaction | |
| dc.subject | platinum(II)-8-hydroxyquinolines. | |
| dc.title | Coordination complexes of slight tetrylene with platinum(II)-8-hydroxyquinolines: Structure and bonding analysis | |
| dc.type | journal-article | |
| dspace.entity.type | Publication | |
| oaire.citation.issue | 3 | |
| oaire.citation.volume | 58 |
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