0000000001309693

AUTHOR

P. Sgarbossa

showing 4 related works from this author

New light on an old debate: Does the RCN-PtCl2 bond include any back-donation? RCN←PtCl2 backbonding: Vs. the IR ν CN blue-shift dichotomy in organon…

2019

For a series of organonitrile [RCN (R = Me, CF3, Ph, CH3Ph, CF3Ph)] ligands, the nature of the N-Pt bond in the related cis-/trans-(RCN)2PtCl2 complexes has been computationally investigated by Density Functional Theory. A fragment based bond analysis has been performed in the canonical Kohn-Sham molecular orbitals framework, and it has been ultimately assessed that this bond is characterized both by N→Pt σ and by N←Pt π contributions. Voronoi Deformation Density charges further confirms the occurrence of N←Pt π interactions. Moreover, the Energy Decomposition Analysis-Natural Orbital for Chemical Valence (EDA-NOCV) method shows that the strength of the N←Pt π interaction is not negligible …

Organonitriles/dk/atira/pure/sustainabledevelopmentgoals/affordable_and_clean_energySettore CHIM/03 - Chimica Generale E InorganicaOrganonitriles DFT Energy Decomposition Analysis-Natural Orbital for Chemical Valencebond.infraredSDG 7 - Affordable and Clean EnergyEDA-NOCVPlatinum(II)organonitrileDFTEnergy Decomposition Analysis-Natural Orbital for Chemical Valence
researchProduct

CCDC 1477138: Experimental Crystal Structure Determination

2017

Related Article: R.Bertani, M.Mozzon, P.Sgarbossa, S.Tamburini, M.Casarin, G.Mangione, G.Casella, A.Venzo, S.Rizzato, A.Albinati|2017|Inorg.Chim.Acta|455|489|doi:10.1016/j.ica.2016.07.015

Space GroupCrystallographyCrystal Systemcis-bis(benzonitrile)-dichloro-platinumCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1477137: Experimental Crystal Structure Determination

2017

Related Article: R.Bertani, M.Mozzon, P.Sgarbossa, S.Tamburini, M.Casarin, G.Mangione, G.Casella, A.Venzo, S.Rizzato, A.Albinati|2017|Inorg.Chim.Acta|455|489|doi:10.1016/j.ica.2016.07.015

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatescis-bis(acetonitrile)-dichloro-platinum
researchProduct

CCDC 1477139: Experimental Crystal Structure Determination

2017

Related Article: R.Bertani, M.Mozzon, P.Sgarbossa, S.Tamburini, M.Casarin, G.Mangione, G.Casella, A.Venzo, S.Rizzato, A.Albinati|2017|Inorg.Chim.Acta|455|489|doi:10.1016/j.ica.2016.07.015

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatestrans-bis(benzonitrile)-dichloro-platinum
researchProduct