Absorptions- and Electronic Raman Spectra of Chloro- Bromo-Osmate (IV), [OsClnBr6-nJ 2-, n=0-6

1991 ◽  
Vol 46 (9) ◽  
pp. 803-808 ◽  
Author(s):  
K. Irmer ◽  
W. Preetz
Keyword(s):  
Fine Structure ◽  
Absorption Spectra ◽  
Raman Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit

Abstract The electronic absorption spectra of the solid tetrabutylammonium salts of [OsClnBr6-n ]2-, n = 0-6, including the stereoisomers for n = 2, 3, 4, are measured at 10 K. The weak intraconfigurational excitations within the t2g4, manifold of Os(lV) are split by spin orbit coupling and lowered symmetry into multiplets, observed in the NIR regions 2600-3100, 4800-5400, 10 500-11 400 and 16 000 17 200 cm-1. The 0-0-transitions are deduced from vibrational fine structure and they are confirmed by electronic Raman bands with the same frequencies

Darstellung und spektroskopische Charakterisierung von Tetrachloro- und Tetrabromo-Oxalatoiridaten(IV) / Preparation and Spectroscopical Characterization of Tetrachloro- and Tetrabromoiridates(IV)

1982 ◽  
Vol 37 (12) ◽  
pp. 1553-1557 ◽  
Author(s):  
H. Schulz ◽  
W. Preetz
Keyword(s):  
Aqueous Solution ◽  
Fine Structure ◽  
Absorption Spectra ◽  
Raman Spectra ◽  
Point Group ◽  
Vibration Modes ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Ir And Raman

On treatment of [IrX6]2- with oxalate in aqueous solution at first [IrX4OX]3- (X = Cl, Br) is formed, which after extraction with pentylammonium ions into CH2Cl2 can be oxidised by X2 to give the corresponding pure Ir(IV) complexes [IrX4OX]2-. The IR and Raman spectra are assigned according to point group C2V- The UV/VIS absorption spectra show strong CT bands of transitions from "(π + σ)tlu"- and "πt2U"-ligand niveaus to t2g5 (IrIV). These are split into three components by spin-orbit coupling and corresponding to the different groups of ligands: Xtr2, Xc2, ox. The spectrum of (TBA)2[IrBr4OX] recorded at 10 K is highly resolved, showing a splitting of the Brtr2 → Ir(IV) and Bc2 → Ir(IV) transitions by 1000-1400 cm-1. In the NIR-region two d-d-transitions are observed superimposed with a fine structure by coupling with vibration modes

Elektronenspektren der Fluoro-Chloro-Osmate(V), [OsFnCl6–n]–, n = 0 — 6

1986 ◽  
Vol 41 (10) ◽  
pp. 1222-1227 ◽  
Author(s):  
Th. Groth ◽  
W. Preetz
Keyword(s):  
Fine Structure ◽  
Charge Transfer ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Absorption Bands ◽  
Charge Transfer Transitions ◽  
Temperature Spectra ◽  
Tetraethylammonium Salts

The electronic absorption spectra of the solid tetraethylammonium salts of [OsFnCl6-n]- are measured at 10 K. The strong bands in the UV/YIS region are assigned to charge transfer transitions from π(t1 u, t2 u) and σ(t1 u ) Cl orbitals into the π(t2g3) Os(V) level. The weak intraconfigurational excitations within the t2g3 manifold of Os(V) are split by spin-orbit coupling and lowered symmetry into Kramers doublets, observed in the range 5500-18000 cm-1. The 0 - 0-transitions are deduced from vibrational fine structure; for the centrosymmetric complexes they are confirmed by hot bands recorded in the normal temperature spectra. There is a systematical shift of all absorption bands to higher energy with increasing number of F-ligands.

scholarly journals Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects

2017 ◽  
Vol 19 (40) ◽  
pp. 27240-27250 ◽  
Author(s):  
Sebastian Mai ◽  
Hugo Gattuso ◽  
Maria Fumanal ◽  
Aurora Muñoz-Losa ◽  
Antonio Monari ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Excited States ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Implicit Solvation ◽  
Td Dft ◽  
Rhenium Carbonyl ◽  
Solvation Models ◽  
P Absorption

Absorption spectra of [Re(CO)3(imidazole)(phenanthroline)]+ were computed using TD-DFT with QM/MM, frozen-density embedding, and implicit solvation models.

Rotational Analysis of the PH and PD A3Πi–X3Σ− Band Systems

1974 ◽  
Vol 52 (14) ◽  
pp. 1274-1287 ◽  
Author(s):  
J. Rostas ◽  
D. Cossart ◽  
J. R. Bastien
Keyword(s):  
Fine Structure ◽  
High Resolution ◽  
Simple Model ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Centrifugal Distortion ◽  
Coupling Parameters ◽  
Spin Orbit Interactions

PH and PD radicals have been produced in a Schüler type discharge through PH3 and PD3. Besides the already known (0–0) bands of PH and PD, new bands, namely the (0–1) band of PH and the (1–0) and (1–1) bands of PD have been photographed in emission, under high resolution. Rotational analyses have been performed for these six bands and also for the (1–0) band of PH analyzed earlier by Legay in absorption. The 3Π and 3Σ states fine structure has been interpreted by a simple model, which includes spin–spin, and second-order spin–orbit interactions and also centrifugal distortion effects both on rotational and spin–orbit coupling parameters. The ν dependence of the different molecular parameters has been examined and interpreted where possible.

Relationship between the Molecular Structure of Cyanine Dyes and the Vibrational Fine Structure of their Electronic Absorption Spectra

ChemPhysChem ◽  
2009 ◽  
Vol 10 (5) ◽  
pp. 835-840 ◽  
Author(s):  
Heinz Mustroph ◽  
Knut Reiner ◽  
Jürgen Mistol ◽  
Steffen Ernst ◽  
Dietmar Keil ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Fine Structure ◽  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Cyanine Dyes
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