Strongly Nucleophilic RhI Centre in Square-Planar Complexes with Terdentate (κ3) 2,2′:6′,2′′-Terpyridine Ligands: Crystallographic, Electrochemical and Density Functional Theoretical Studies

2004 ◽  
Vol 2004 (8) ◽  
pp. 1675-1686 ◽  
Author(s):  
Boke C. de Pater ◽  
Hans-Werner Frühauf ◽  
Kees Vrieze ◽  
René de Gelder ◽  
Evert J. Baerends ◽  
...  
Keyword(s):  
Density Functional ◽  
Theoretical Studies ◽  
Square Planar ◽  
Terpyridine Ligands ◽  
Square Planar Complexes

Theoretical studies of rotational barriers of dithiocarbamate ligands in the square planar complexes TM(L)(L′)(H2dtc) (TM=Ir, Rh)

2003 ◽  
Vol 636 (1-3) ◽  
pp. 49-56 ◽  
Author(s):  
Alireza Ariafard ◽  
Maryam Daghighi Asli ◽  
Hamidreza Aghabozorg ◽  
Hossein Aghabozorg ◽  
Majid Monajjemi
Keyword(s):  
Theoretical Studies ◽  
Rotational Barriers ◽  
Square Planar ◽  
Square Planar Complexes

scholarly journals Pyridine versus acetonitrile coordination in rhodium–N-heterocyclic carbene square-planar complexes

2015 ◽  
Vol 44 (12) ◽  
pp. 5777-5789 ◽  
Author(s):  
Laura Palacios ◽  
Andrea Di Giuseppe ◽  
Ricardo Castarlenas ◽  
Fernando J. Lahoz ◽  
Jesús J. Pérez-Torrente ◽  
...  
Keyword(s):  
Coordination Chemistry ◽  
Donor Ligands ◽  
Theoretical Studies ◽  
Square Planar ◽  
Square Planar Complexes ◽  
Experimental And Theoretical Studies

Experimental and theoretical studies on the factors that control the coordination chemistry of N-donor ligands in square-planar complexes of the type RhCl(NHC)L1L2 (NHC = N-heterocyclic carbene) are presented.

Chlorine nuclear quadrupole resonance in some chloro complexes of divalent copper

1971 ◽  
Vol 24 (10) ◽  
pp. 1993 ◽  
Author(s):  
DE Scaife
Keyword(s):  
Nuclear Quadrupole Resonance ◽  
Covalent Bonding ◽  
Divalent Copper ◽  
Chloro Complexes ◽  
35Cl Nucleus ◽  
Square Planar ◽  
Bonding Interaction ◽  
Quadrupole Resonance ◽  
Square Planar Complexes ◽  
Nuclear Quadrupole

Nuclear quadrupole resonance for the 35Cl nucleus has been observed in some chloro complexes of divalent copper. Square-planar complexes each show two resonance lines, with the following frequencies (at 77�K): (CH3NH3)2CuCl4, 10.780, 12.157 MHz; (C2H5NH3)2CuCl4, 10.817, 12.074 MHz; (enH2)CuCl4, 10.271, 11.901 MHz; and (C3H7NH3)2CuCl4 at 223�K, 11.290 and 11.781 MHz. NH4CuCl3, containing dimeric Cu2Cl62- units, has resonances, at 77�K, at 11.907, 11.993, and 12.448 MHz. The trigonal pyramidal anion in Co(NH3)6CuCl5 has two resonances at 9.642 and 10.352 MHz at 77�K. ��� These results are compared with previous results for copper chloro complexes, and the implications of covalent bonding are discussed. In particular, it is suggested that the long-bond interaction between units in square-planar complexes amounts to 7-16% of the bonding interaction within the units.

Extended X-ray absorption fine structure and multiple-scattering simulation of nickel dithiolene complexes Ni[S2C2(CF3)2]2n(n= −2, −1, 0) and an olefin adduct Ni[S2C2(CF3)2]2(1-hexene)

2015 ◽  
Vol 22 (1) ◽  
pp. 124-129 ◽  
Author(s):  
Weiwei Gu ◽  
Hongxin Wang ◽  
Kun Wang
Keyword(s):  
Fine Structure ◽  
Multiple Scattering ◽  
Edge Structure ◽  
X Ray ◽  
Absorption Fine ◽  
Square Planar ◽  
Square Planar Complexes ◽  
Uv Visible ◽  
Edge Features ◽  
X Ray Absorption

A series of Ni dithiolene complexes Ni[S2C2(CF3)]2n(n= −2, −1, 0) (1,2,3) and a 1-hexene adduct Ni[S2C2(CF3)2]2(C6H12) (4) have been examined by NiK-edge X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine-structure (EXAFS) spectroscopies. Ni XANES for1–3reveals clear pre-edge features and approximately +0.7 eV shift in the NiK-edge position for `one-electron' oxidation. EXAFS simulation shows that the Ni—S bond distances for1,2and3(2.11–2.16 Å) are within the typical values for square planar complexes and decrease by ∼0.022 Å for each `one-electron' oxidation. The changes in NiK-edge energy positions and Ni—S distances are consistent with the `non-innocent' character of the dithiolene ligand. The Ni—C interactions at ∼3.0 Å are analyzed and the multiple-scattering parameters are also determined, leading to a better simulation for the overall EXAFS spectra. The 1-hexene adduct4presents no pre-edge feature, and its NiK-edge position shifts by −0.8 eV in comparison with its starting dithiolene complex3. Consistently, EXAFS also showed that the Ni—S distances in4elongate by ∼0.046 Å in comparison with3. The evidence confirms that the neutral complex is `reduced' upon addition of olefin, presumably by olefin donating the π-electron density to the LUMO of3as suggested by UV/visible spectroscopy in the literature.

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