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Weak η 2 –C–H⋯Hg interactions. Crystal structures of Hg(II) 2-N substituted N-confused porphyrin: Hg(2-NCH 2 - p -C 6 H 4 -CH 3 -21-H-NCTPP)I and Hg(2-NCH 2 - p -C 6 H 4 -isoC 3 H 7 -21-H-NCTPP)I·C 6 H 5 CH 3
- Source :
- Polyhedron. 130:30-39
- Publication Year :
- 2017
- Publisher :
- Elsevier BV, 2017.
-
Abstract
- The crystal structures of 2-aza-2-[p-(isopropyl)benzyl]-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N′,N″)palladium(II) [Pd (2-NCH2-p-C6H4-isoC3H7NCTPP); 3], (2-azo-2-[p-(isopropyl)]-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N′,N″)platinum(II) [Pt(2-NCH2-p-C6H4-isoC3H7NCTPP); 4], iodo(2-azo-2-[p-(isopropyl)benzyl]-5,10,15,20-tetraphenyl-21-hydrogen-21-carbaporphyrinato-N,N′,N″)mercury(II) toluene solvate [Hg(2-NCH2-p-C6H4-isoC3H7-21-H-NCTPP)I⋅C6H5CH3; 5⋅C6H5CH3], (2-azo-2-[p-methylbenzyl]-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N′,N″)nickel(II) [Ni(2-NCH2-p-C6H4-CH3NCTPP); 6] and iodo(2-azo-2-[p-methylbenzyl]-5,10,15,20-tetraphenyl-21-hydrogen-21-carbaporphyrinato-N,N′,N″)mercury(II) [Hg(2-NCH2-p-C6H4-CH3-21-H-NCTPP)I; 7] were determined. The coordination sphere around the Pd2+ (or Pt2+, Ni2+) ion in 3 (or 4, 6) is distorted square planar (DSP) whereas for Hg2+ in 5 (or 7), it is a distorted tetrahedral complex with the T-based pyramid of the C2v symmetry. The coupling of H(17) in 5 (7) to 199Hg with J [199Hg–H(17)] = 34.8 Hz (5) and J [199Hg–H(17)] = 34.2 Hz (7), supported the assignment of agostic η2–C–H(17)⋯Hg interactions in these two mercury complexes.
- Subjects :
- Agostic interaction
Coordination sphere
010405 organic chemistry
Stereochemistry
chemistry.chemical_element
Crystal structure
010402 general chemistry
01 natural sciences
Medicinal chemistry
0104 chemical sciences
Inorganic Chemistry
Nickel
chemistry
X-ray crystallography
Materials Chemistry
Physical and Theoretical Chemistry
Platinum
Isopropyl
Palladium
Subjects
Details
- ISSN :
- 02775387
- Volume :
- 130
- Database :
- OpenAIRE
- Journal :
- Polyhedron
- Accession number :
- edsair.doi...........bcbfbd5e937f87e99759fb6fac7ade67
- Full Text :
- https://doi.org/10.1016/j.poly.2017.03.057