Single crystal electronic spectra for the compounds potassium octachlorodimolybdate (II)-dihydrate, potassium tetra-[mu]- sulfatodimolybdate (II)-dihydrate and potassium tetra-[mu]-sulfatodimolybdate (II,III)-3.5 hydrate

1977 ◽  
Author(s):  
Phillip Edward Fanwick
Keyword(s):  
Single Crystal ◽  
Electronic Spectra

Experimental and computational structural study of two hindered aminoanthraquinones in crystals and solutions

2000 ◽  
Vol 215 (9) ◽  
Author(s):  
A.V. Yatsenko ◽  
K.A. Paseshnichenko ◽  
S.I. Popov
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Electronic Spectra ◽  
Molecular Structures ◽  
Amino Group ◽  
Single Crystal Diffraction ◽  
Molecular Conformations ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Visible Spectra

The crystal and molecular structures of 2-methyl-1-methylamino-anthraquinone (I) and 1-methylphenylamino-anthraquinone (II) were studied by the X-ray single-crystal diffraction and the visible spectra of crystalline specimens and their solutions were recorded. The molecule I is closely planar, whereas in the molecule II the amino group is 58° rotated out of the plane of the anthraquinone skeleton. In both structures the molecules pack in stacks. The comparison of experimental and calculated (on the DFT and AM1 levels) molecular structures, together with the comparison of experimental and INDO/S-calculated electronic spectra, give the evidence that molecular conformations (especially for II) change upon transfer from the solid state to solutions, and the π-delocalisation throughout the whole molecule enhances in the solid state.

Electronic Spectra of Single-Crystal Maleonitriledithiolate Complexes of Iridium (I): [Ir(CO)2mnt] TBA (mnt ≡ [S2C2(CN)2]2-; TBA ≡ [(C4H9)4N] + )

1989 ◽  
Vol 44 (11) ◽  
pp. 1057-1062
Author(s):  
U. Riedl ◽  
G. Gliemann
Keyword(s):  
Charge Transfer ◽  
Magnetic Fields ◽  
Optical Absorption ◽  
Single Crystal ◽  
Electronic Spectra ◽  
Electronic States ◽  
Emission Spectra ◽  
Spin Orbit ◽  
Excited Electronic States ◽  
Decay Times

The polarized optical absorption and emission (spectra, decay times) of single-crystal [lr(CO)2mnt] TBA at temperatures 2 K≦T≤295 K and homogeneous magnetic fields O≦H≦6T are reported. The highly resolved spectra show 0-0 transitions with vibrational satellites and phonon side bands. Applied magnetic fields yield no effect on the emission. The lowest excited electronic states can be assigned to the spin-orbit components A′1 B′1 and B′1 of the charge transfer triplet 3A2 (symmetry C2v)

The single crystal electronic spectra of cis-octahedral nickel(II) diamine complexes at 10 K

1982 ◽  
Vol 60 (4) ◽  
pp. 495-500 ◽  
Author(s):  
A. B. P. Lever ◽  
I. M. Walker ◽  
P. J. McCarthy
Keyword(s):  
Single Crystal ◽  
Electronic Spectra ◽  
Spherical Harmonic ◽  
Point Group ◽  
Previous Experience ◽  
Nitrite Ion

The single crystal polarised spectra, at 10 K, of a series of nickel(II) complexes containing the cis-chromophore NiN4O2 are reported. The four N ligands are provided by the diamines N,N′-diethylethylenediamine or meso-stilbenediamine, and the two O ligands by chelating nitrate or nitrite ion. The spectra are assigned in the point group C2v(III). The energies are calculated within the Normalised Spherical Harmonic Hamiltonian and the Orbital Angular Overlap formalisms. The parameters so derived are consistent with previous experience obtained with trans-analogs once the small bite of the chelating nitrite ligand is accounted for.

Synthesis and structure of 4-methylpyridine complexes of cobalt(II) and nickel(II) hexafluorophosphate and hexafluoroarsenate

1978 ◽  
Vol 56 (7) ◽  
pp. 985-991 ◽  
Author(s):  
Raymond M. Morrison ◽  
Robert C. Thompson
Keyword(s):  
Magnetic Properties ◽  
Field Strength ◽  
Single Crystal ◽  
Infrared Spectra ◽  
Electronic Spectra ◽  
Preliminary Report ◽  
Ligand Field ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar

The complexes M(4mepy)4A2 and M(H2O)2(4mepy)8A2 (where M is Ni or Co and A is PF6 or AsF6) have been prepared and their electronic spectra and magnetic properties studied. A preliminary report is made of single crystal X-ray diffraction studies on Ni(H2O)2(4mepy)8(PF6)2, Co(H2O)2(4mepy)8(PF6)2, and Co(4mepy)4(PF6)2. All of the complexes have structures involving complex cations and non-coordinated anions, consistent with extremely weak ligating abilities for both PF6− and AsF6−. Cations identified and characterized are the squashed tetrahedral [Co(4mepy)4]2+ ion, the square planar [Ni(4mepy)4]2+ ion, and the tetragonal [Co(4mepy)4((4mepy)2H2O)2]2+and [Ni(4mepy)4((4mepy)2H2O)2]2+ ions. The ligand field strength of 4-methylpyridine is found to be indistinguishable from that of pyridine in these complexes. Infrared spectra are reported and infrared criteria for establishing the presence of non-coordinated anions in PF6− and AsF6− complexes are suggested.

Crystal Structure and Spectroscopic Behaviour of a Binuclear Copper(II) Complex of Mefenamic Acid and Dimethylsulfoxide

1998 ◽  
Vol 53 (8) ◽  
pp. 871-874 ◽  
Author(s):  
G. Facchin ◽  
M. H. Torre ◽  
E. Kremer ◽  
O. E. Piro ◽  
E. J. Baran
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Mefenamic Acid ◽  
Electronic Spectra ◽  
Anthranilic Acid ◽  
Binuclear Copper ◽  
Triclinic Space Group ◽  
Spectroscopic Behaviour ◽  
Space Group ◽  
X Ray

Abstract The crystal structure of the binuclear Cu(II) complex [Cu(mef)2DMSO]2 (mef = deprotonated N-2,3-dimethylphenyl-anthranilic acid; DMSO = dimethylsulfoxide) has been determined by single-crystal X-ray diffractometry. It crystallizes in the triclinic space group P1̄ with Z = 1. IR and electronic spectra of the compound are also discussed briefly.

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