Generalization of the Tolman electronic parameter: the metal–ligand electronic parameter and the intrinsic strength of the metal–ligand bond

2017 ◽  
Vol 46 (26) ◽  
pp. 8323-8338 ◽  
Author(s):  
Dieter Cremer ◽  
Elfi Kraka
Keyword(s):  
Bond Strength ◽  
Vibrational Spectroscopy ◽  
Electronic Parameter ◽  
Strength Based ◽  
Metal Ligand ◽  
Intrinsic Strength ◽  
Ligand Bond

The MLEP is a new, generally applicable measure of the metal–ligand bond strength based on vibrational spectroscopy, replacing the TEP.

Role of Metal–Ligand Bond Strength and Phase Separation on the Mechanical Properties of Metallopolymer Films

2013 ◽  
Vol 46 (14) ◽  
pp. 5416-5422 ◽  
Author(s):  
Aaron C. Jackson ◽  
Frederick L. Beyer ◽  
Samuel C. Price ◽  
B. Christopher Rinderspacher ◽  
Robert H. Lambeth
Keyword(s):  
Mechanical Properties ◽  
Phase Separation ◽  
Bond Strength ◽  
Metal Ligand ◽  
Ligand Bond

Comparative study of the metal–ligand bond strength in MnII/X/U complexes (X=Cl, Br, I; U=urea)

2000 ◽  
Vol 525 (1-3) ◽  
pp. 173-183 ◽  
Author(s):  
R Keuleers ◽  
G.S Papaefstathiou ◽  
C.P Raptopoulou ◽  
S.P Perlepes ◽  
H.O Desseyn
Keyword(s):  
Bond Strength ◽  
Comparative Study ◽  
Metal Ligand ◽  
Ligand Bond

The intrinsic strength of the halogen bond: electrostatic and covalent contributions described by coupled cluster theory

2016 ◽  
Vol 18 (48) ◽  
pp. 33031-33046 ◽  
Author(s):  
Vytor Oliveira ◽  
Elfi Kraka ◽  
Dieter Cremer
Keyword(s):  
Bond Strength ◽  
Halogen Bond ◽  
Quantitative Description ◽  
Force Constants ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Strength Based ◽  
Intrinsic Strength

The first quantitative description of the halogen bond strength based on local vibrational stretching force constants determined with CCSD(T).

The Crystal and Molecular Structures of Two Modifications of cis-Dichloro-mer-tris-(dimethylphenylphosphine)hydridoiridium(III)

1988 ◽  
Vol 41 (3) ◽  
pp. 283 ◽  
Author(s):  
GB Robertson ◽  
PA Tucker
Keyword(s):  
Heavy Atom ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Metal Ligand ◽  
Ligand Bond

The structures of two crystalline modifications of mer -(Pme2Ph)3H-cis-Cl2IrIII, (1), have been determined from single-crystal X-ray diffraction data. Modification (A) is monoclinic, space group P21/c with a 12.635(1), b 30.605(3), c 14.992(2)Ǻ, β 110.01(2)° and Z = 8. Modification (B) is orthorhombic, space group Pbca with a 27.646(3), b 11.366(1), c 17.252(2)Ǻ and Z = 8. The structures were solved by conventional heavy atom techniques and refined by full-matrix least- squares analyses to conventional R values of 0.037 [(A), 8845 independent reflections] and 0.028 [(B), 5291 independent reflections]. Important bond lengths [Ǻ] are Ir -P(trans to Cl ) 2.249(1) av. (A) and 2.234(1) (B), Ir -P(trans to PMe2Ph) 2.339(2) av. (A) and 2.344(1), 2.352(1) (B), Ir-Cl (trans to H) 2.492(2), 2.518(2) (A) and 2.503(1) (B) and Ir-Cl (trans to PMe2Ph)2.452(2) av. (A) and 2.449(1)(B). Differences in chemically equivalent metal- ligand bond lengths emphasize the importance of non-bonded contacts in determining those lengths.

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