Capturing the Trans Influence in Low-Spin d8 Square-Planar Platinum(II) Systems using Molecular Mechanics

2009 ◽  
Vol 5 (9) ◽  
pp. 2339-2352 ◽  
Author(s):  
Anna. E. Anastasi ◽  
Robert J. Deeth
Keyword(s):  
Molecular Mechanics ◽  
Trans Influence ◽  
Square Planar

The trans influence of F, Cl, Br and I ligands in a series of square-planar Pd(II) complexes. Relative affinities of halide anions for the metal centre in trans-[(Ph3P)2Pd(Ph)X]

1998 ◽  
Vol 280 (1-2) ◽  
pp. 87-98 ◽  
Author(s):  
Jeffrey P. Flemming ◽  
Mark C. Pilon ◽  
Oleg Ya. Borbulevitch ◽  
Mikhail Yu. Antipin ◽  
Vladimir V. Grushin
Keyword(s):  
Metal Centre ◽  
Trans Influence ◽  
Halide Anions ◽  
Square Planar ◽  
In Trans

The Role of π−π Stacking Interactions in Square Planar Palladium Complexes. Combined Quantum Mechanics/Molecular Mechanics QM/MM Studies

2001 ◽  
Vol 20 (20) ◽  
pp. 4178-4184 ◽  
Author(s):  
Alessandra Magistrato ◽  
Paul S. Pregosin ◽  
Alberto Albinati ◽  
Ursula Rothlisberger
Keyword(s):  
Quantum Mechanics ◽  
Molecular Mechanics ◽  
Palladium Complexes ◽  
Stacking Interactions ◽  
Π Stacking ◽  
Square Planar

A Relativistic Quantum-Chemical Analysis of the trans Influence on 1H NMR Hydride Shifts in Square-Planar Platinum(II) Complexes

2015 ◽  
Vol 54 (15) ◽  
pp. 7199-7208 ◽  
Author(s):  
Anja H. Greif ◽  
Peter Hrobárik ◽  
Veronika Hrobáriková ◽  
Alexei V. Arbuznikov ◽  
Jochen Autschbach ◽  
...  
Keyword(s):  
Chemical Analysis ◽  
1H Nmr ◽  
Quantum Chemical ◽  
Relativistic Quantum ◽  
Quantum Chemical Analysis ◽  
Trans Influence ◽  
Square Planar

Heterotridentate organodiphosphines in Pt(η3-P1X1P2)(Y) (X1 = B, S, or Si) and Pt(η3-P1P2Si1)(Y) derivatives-structural aspects

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Milan Melník ◽  
Peter Mikuš
Keyword(s):  
Structural Data ◽  
Covalent Radius ◽  
Planar Geometry ◽  
Trans Influence ◽  
Square Planar ◽  
Structural Aspects

Abstract This review covers almost 30 Pt(II) complexes of the composition Pt(η3-P1X1P2)(Y), (X1 = BL, SL, or SiL), (Y = H, OL, NL, CL, Cl, PL, or I) and Pt(η3-P1P2Si1)(CH3). Heterotridentate ligands form six types of metallocyclic rings: P1CNB1NCP2, P1C2S1C2P2, P1C2Si1C2P2, (most common), P1CNSi1NCP2, and P1C3Si1C3P2 with common B1, S1, or Si1 atoms. In P1C2P2C3Si1 the P2 atom is common. The structural data (Pt–L, L–Pt–L) are analyzed and discussed with an attention to the distortion of a square-planar geometry about Pt(II) atoms as well as trans-influence. The sum of Pt–L(x4) bond distances growing with covalent radius of the X1 and Y atoms.

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