Search results for "Field Theory"
showing 10 items of 1188 documents
Understanding and exploiting long-lived near-infrared emission of a molecular ruby
2018
Coordination chemistry reviews 359, 102 - 111 (2018). doi:10.1016/j.ccr.2018.01.004
Structure and Electronic Properties of an Expanded Terpyridine Complex of Nickel(II) [Ni(ddpd)2](BF4)2
2018
Excited State Tuning of Bis(tridentate) Ruthenium(II) Polypyridine Chromophores by Push-Pull Effects and Bite Angle Optimization: A Comprehensive Exp…
2013
The synergy of push-pull substitution and enlarged ligand bite angles has been used in functionalized heteroleptic bis(tridentate) polypyridine complexes of ruthenium(II) to shift the (1) MLCT absorption and the (3) MLCT emission to lower energy, enhance the emission quantum yield, and to prolong the (3) MLCT excited-state lifetime. In these complexes, that is, [Ru(ddpd)(EtOOC-tpy)][PF6 ]2 , [Ru(ddpd-NH2 )(EtOOC-tpy)][PF6 ]2 , [Ru(ddpd){(MeOOC)3 -tpy}][PF6 ]2 , and [Ru(ddpd-NH2 ){(EtOOC)3 -tpy}][PF6 ]2 the combination of the electron-accepting 2,2';6',2''-terpyridine (tpy) ligand equipped with one or three COOR substituents with the electron-donating N,N'-dimethyl-N,N'-dipyridin-2-ylpyridin…
Role of Orbital Degeneracy in the Single Molecule Magnet Behavior of a Mononuclear High-Spin Fe(II) Complex
2010
To explain the single-molecule magnet behavior of the mononuclear complex [(tpaMes)Fe](-) we have developed a model that takes into account the trigonal ligand field splitting of the atomic (5)D term of the Fe(II) ion, and the spin-orbital splitting and mixing of the ligand field terms. The ground ligand field term is shown to be the orbital doublet (5)E possessing an unquenched orbital angular momentum. We demonstrate that the splitting of this term cannot be described by the conventional zero-field splitting Hamiltonian proving thus the irrelevance of the spin-Hamiltonian formalism in the present case. The first-order orbital angular momentum is shown to lead to the strong magnetic anisot…
LIGAND FIELD CALCULATION FOR THE COMPLEX Fe(H2O)2+6 IN FROZEN AQUEOUS SOLUTION OF Fe(ClO4)2
1980
Bistability in Iron(II) Spin-Crossover Systems: A Supramolecular Function
2007
Coordination of expanded terpyridine ligands to cobalt
2013
Abstract The tridentate expanded terpyridine-like ligand N,N′-dimethyl-N,N′-dipyridin-2-yl-pyridin-2,6-diamine (ddpd) and [Co(H2O)6](BF4)2 give the high-spin complex mer-[Co(ddpd)2](BF4)2 with a tetragonally compressed CoN6 coordination geometry according to X-ray diffraction and SQUID measurements. UV–Vis–NIR spectra indicate a large ligand field splitting close to the high-spin/low-spin crossover point. Oxidation of the CoII complex to CoIII is achieved with silver triflate. The self exchange between high-spin CoII and low-spin CoIII is slow on the NMR time scale.
A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution.
2020
Luminescence from Earth-abundant metal ions in solution at room temperature is a very challenging objective due to the intrinsically weak ligand field splitting of first-row transition metal ions, which leads to efficient nonradiative deactivation via metal-centered states. Only a handful of 3d
Relaxation Dynamics of Cr(acac)3 Probed by Ultrafast Infrared Spectroscopy
2007
Ultrafast infrared spectroscopy is used to probe the dynamics of Cr(acac)3 upon ligand field (400 nm) and charge transfer state (345 nm) excitation. At both pump wavelengths, the ground state absorption bands are strongly bleached at zero delay, and new broad transient absorption bands appear red shifted from the bleached bands. Recovery of ground state bleach is dominated by a fast time constant (15 ps), while a small percentage recovers within 760−900 ps. Despite the extensive studies on Cr(acac)3 photophysics, the fast recovery of the ground state as a major channel is reported here for the first time. As a general result, the present communication emphasizes the great value of ultrafast…
Crystal structure and spectroscopic studies of bis(N-2-pyridinylcarbonyl-2-pyridinecarboximidato)copper(II) monohydrate. Local bonding effects
1989
Abstract The crystal and molecular structure of bis(N-2- pyridinylcarbonyl-2-pyridinecarboximidato)copper(II) monohydrate, Cu(BPCA)2·H2O, has been determined from single crystal X-ray data. It crystallizes in the monoclinic space group P21/c with four formula units in a cell of dimensions: a = 8.917(1), b = 8.932(1), c = 28.794(17) A, β= 95.49(2)°.Least- squares refinement of 2754 reflections with I > 2.5σ(I) and 379 parameters gave a final R = 0.037 (Rw = 0.036). The structure consists of discrete neutral Cu(BPCA)2 entities linked two by two through water molecules hydrogen bonded to ligand carbonyl groups. The coordination geometry around copper ions can approximately be described as orth…