Spectroscopic Evidence for a 3d10 Ground State Electronic Configuration and Ligand Field Inversion in [Cu(CF3)4]1–

2016 ◽  
Vol 138 (6) ◽  
pp. 1922-1931 ◽  
Author(s):  
Richard C. Walroth ◽  
James T. Lukens ◽  
Samantha N. MacMillan ◽  
Kenneth D. Finkelstein ◽  
Kyle M. Lancaster
Keyword(s):  
Ground State ◽  
Electronic Configuration ◽  
Ligand Field ◽  
Spectroscopic Evidence ◽  
Field Inversion

scholarly journals The thermochemistry of carbon: valence states, heats of sublimation and energies of linkage

1946 ◽  
Vol 187 (1010) ◽  
pp. 337-357 ◽  
Keyword(s):  
Ground State ◽  
Electronic Configuration ◽  
Dissociation Energies ◽  
True Value ◽  
Valence States ◽  
Chemical Combination ◽  
The Right ◽  
Right Order ◽  
Unambiguous Assignment ◽  
Apparent Conflict

The controversy which exists at the present time between the figures 125 and 170 kcal./g.- atom for the latent heat of sublimation of carbon into monatomic vapour in the ground state originates largely from the neglect to take into consideration the energy required to raise the carbon atoms from the ground ( 3 P ) state to the lowest tetravalent ( 5 S ) electronic configuration corresponding to that in which it is normally found in chemical combination. Consideration of the energies of removal of a hydrogen atom from the methane and ethane molecules and of the energies of reorganization of the resulting radicals leads to the figure 190 ± about 10 kcal. for L 2 , the heat of sublimation into free atoms in the 5 S state. This in turn leads to a satisfactory and unambiguous assignment of values to bond energies (as distinct from dissociation energies) which can now be expressed with an uncertainty of not more than a few kcal. In the light of the valency distinction there remains no sound evidence to maintain the higher value put forward for L 1 and 125 kcal. is unquestionably of the right order. There are strong indications that an earlier estimate of 100 kcal. for the energy level of the 5 S state above the 3 P (ground) state is about 50 % in excess of the true value. The necessity for establishing this branch of thermochemistry on a sound theoretical and experimental footing has long been a very obvious need. The scheme here suggested reconciles points hitherto in apparent conflict, and brings virtually all established experimental knowledge into alignment.

The electronic spectra of phenyl radicals

1965 ◽  
Vol 287 (1411) ◽  
pp. 457-470 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Ground State ◽  
Electronic Spectra ◽  
Flash Photolysis ◽  
Visible Region ◽  
Electronic Configuration ◽  
Vibrational Structure ◽  
Fundamental Frequencies

An electronic absorption spectrum, attributed to phenyl, has been observed in the visible region with origin at 18 908 cm -1 after flash photolysis of benzene and halogenobenzenes. Similar spectra of fluoro, chloro and bromo phenyl are observed after flash photolysis of disubstituted benzenes. The vibrational structure of the phenyl spectrum has been analysed in terms of two fundamental frequencies at 571 and 896 cm -1 which correspond to the e 2 g and a 1 g frequencies of the B 2 u state of benzene. The ground state of phenyl has a π 6 n electronic configuration and the observed transition is interpreted as 2 A 1 → 2 B 1 resulting from a π → n excitation.

Photoelectron spectroscopic evidence concerning ground-state through-σ-bond interaction in the 1,3-diaza-adamantan-6-one system

1974 ◽  
Vol 0 (18) ◽  
pp. 725-726 ◽  
Author(s):  
Tadashi Sasaki ◽  
Shoji Eguchi ◽  
Tsutomo Kiriyama ◽  
Yoji Sakito ◽  
Hiroshi Kato
Keyword(s):  
Ground State ◽  
Spectroscopic Evidence ◽  
Bond Interaction

Über die Natur der Cu2+-Zentren im NH4Cl - die spektroskopische Untersuchung von Cu2+-dotiertem Hg(NH3)2Cl2/The Nature of the Cu2+ Centres in NH4Cl - a Spectroscopic Investigation of Cu2+ Doped Hg(NH3)2Cl2

1992 ◽  
Vol 47 (4) ◽  
pp. 465-469 ◽  
Author(s):  
G. Steffen ◽  
U. Kaschuba ◽  
M. A. Hitchman ◽  
D. Reinen
Keyword(s):  
Ground State ◽  
Spectroscopic Investigation ◽  
Reflectance Spectra ◽  
Ligand Field ◽  
Field Reflectance

The preparation of Hg(NH3)2Cl2 doped with a small amount of Cu2+ is reported. The EPR and ligand field reflectance spectra indicate the presence of “CuCl4(NH3)2” polyhedra with a compressed tetragonal geometry and confirm, that the centres in Cu2+ doped NH4Cl possess the same geometry - as postulated earlier. The Cu2+ centres in Hg(NH3)2Cl2 are less compressed than those in NH4Cl, however, as could be deduced from the copper(II) hyperfine values, which are strongly influenced by the quite different admixture of the metal 4s orbital into the Alg (dz2) ground state in the two cases, and from the comparable energies of the d - d transitions.

Fluorosulfates of palladium

1977 ◽  
Vol 55 (13) ◽  
pp. 2473-2477 ◽  
Author(s):  
K. C. Lee ◽  
F. Aubke
Keyword(s):  
Ground State ◽  
Diffuse Reflectance ◽  
Magnetic Measurements ◽  
Structural Information ◽  
Tridentate Ligand ◽  
Ligand Field ◽  
Polymeric Structure ◽  
Octahedral Environment ◽  
Fluorosulfate Group ◽  
Ligand Field Parameter

The syntheses of Pd(SO3F)2 and Pd(SO3F)3 by the reactions of palladium with BrOSO2F and S2O6F2 are described. Structural information on both compounds is based on infrared, Raman, diffuse reflectance, and electronic mull spectra as well as magnetic measurements from ∼300 to ∼100 K. Palladium bisfluorosulfate is found to have a polymeric structure with the fluorosulfate group acting as a tridentate ligand. As a consequence, an octahedral environment is found for Pd2+ with a 3A2g ground state, a µeff298 value of 3.39 BM and the ligand field parameter Dq = 1177 cm−1 and B = 633 cm−1. Pd(SO3F)3 is best regarded as PdII[PdIV(SO3F)6].

scholarly journals Ligand field parameters and the ground state of Fe(II) phthalocyanine

2013 ◽  
Vol 138 (24) ◽  
pp. 244308 ◽  
Author(s):  
M. D. Kuz'min ◽  
A. Savoyant ◽  
R. Hayn
Keyword(s):  
Ground State ◽  
Ligand Field ◽  
Ligand Field Parameters
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