scholarly journals Synthesis and Characterisation of Molecular Polarised-Covalent Thorium-Rhenium and -Ruthenium Bonds

Inorganics ◽  
2021 ◽  
Vol 9 (5) ◽  
pp. 30
Author(s):  
Joseph P. A. Ostrowski ◽  
Ashley J. Wooles ◽  
Stephen T. Liddle
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Spectroscopic Data ◽  
Raman Spectroscopic ◽  
Ir And Raman ◽  
Alkane Elimination

Separate reactions of [Th{N(CH2CH2NSiMe2But)2(CH2CH2NSi(Me)(But)(μ-CH2)]2 (1) with [Re(η5-C5H5)2(H)] (2) or [Ru(η5-C5H5)(H)(CO)2] (3) produced, by alkane elimination, [Th(TrenDMBS)Re(η5-C5H5)2] (ThRe, TrenDMBS = {N(CH2CH2NSiMe2But)3}3-), and [Th(TrenDMBS)Ru(η5-C5H5)(CO)2] (ThRu), which were isolated in crystalline yields of 71% and 62%, respectively. Complex ThRe is the first example of a molecular Th-Re bond to be structurally characterised, and ThRu is only the second example of a structurally authenticated Th-Ru bond. By comparison to isostructural U-analogues, quantum chemical calculations, which are validated by IR and Raman spectroscopic data, suggest that the Th-Re and Th-Ru bonds reported here are more ionic than the corresponding U-Re and U-Ru bonds.

Structure and Reactivity of [Mo3-μ3S-(μS2)3]4+Complexes. Quantum Chemical Calculations, X-ray Structural Characterization, and Raman Spectroscopic Measurements

1998 ◽  
Vol 37 (11) ◽  
pp. 2633-2644 ◽  
Author(s):  
María J. Mayor-López ◽  
Jacques Weber ◽  
Kaspar Hegetschweiler ◽  
Marc D. Meienberger ◽  
Felix Joho ◽  
...  
Keyword(s):  
Quantum Chemical Calculations ◽  
Structural Characterization ◽  
Quantum Chemical ◽  
Spectroscopic Measurements ◽  
X Ray ◽  
Raman Spectroscopic

scholarly journals SPECTROSCOPICALLY AND/OR STRUCTURALLY INTRIGUING PHTHALOCYANINES AND RELATED COMPOUNDS. PART 3. DIMERIC SYSTEMS, TETRAMERS, AND CONCLUSIONS

2019 ◽  
Vol 62 (11) ◽  
pp. 4-37
Author(s):  
Nagao Kobayashi
Keyword(s):  
Electron Paramagnetic Resonance ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Spectroscopic Data ◽  
Magnetic Circular Dichroism ◽  
Spectroscopic Methods ◽  
Paramagnetic Resonance ◽  
The Third ◽  
Electron Paramagnetic ◽  
Related Compounds

This work is the third part of the review, which presents the properties of a large group of phthalocyanines, which were synthesized and spectroscopically and theoretically studied in works performed under the guidance of the author for the period 2007-2017. Examples of the analysis of spectroscopic data in combination with quantum-chemical calculations of different level are given. As spectroscopic methods, we used the methods of electron absorption, natural and magnetic circular dichroism (CD and MCD) fluorescence, phosphorescence, and electron paramagnetic resonance with time resolution. Based on quantum-chemical calculations, the spectra of (4n + 2) p systems, as well as some 4np antiaromatic systems, were theoretically analyzed. Unlike the first and second parts of the review, this part deals with dimeric and tetrameric systems. <span style="opacity: 0;"> . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . </span> <span style="opacity: 0;"> . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . </span>

Impact of Fluorination and Chlorination on the Electronic Structure, Topology and in-Plane Ring Normal Modes of Pyridine

2021 ◽  
Author(s):  
Enrico Benassi ◽  
Tamara Vaganova ◽  
Evgenij V Malykhin ◽  
Haiyan Fan
Keyword(s):  
Raman Spectroscopy ◽  
Electronic Structure ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Normal Modes ◽  
Ir And Raman Spectroscopy ◽  
Structure Topology ◽  
Ft Ir ◽  
Ir And Raman

Seven partially and fully fluorinated/chlorinated pyridines were investigated by means of FT-IR and Raman spectroscopy combined with quantum chemical calculations with the main aim to detect how the nature and...

Darstellung, Eigenschaften, KMR-, IR- und Raman-Spektren von Verbindungen des Typs R-P(Se)F2, R-P(Se)FC1 und R-P(Se)Cl2 / Preparation, Chemical Properties, NMR- and Vibrational Spectra of Compounds of the Type R-P(Se)F2-, R-P(Se)FCl and R-P(Se)Cl2

1973 ◽  
Vol 28 (11-12) ◽  
pp. 697-706 ◽  
Author(s):  
H. W. Roesky ◽  
W. Kloker
Keyword(s):  
Vibrational Spectra ◽  
Spectroscopic Data ◽  
Chemical Properties ◽  
Elemental Selenium ◽  
Sulphur Compounds ◽  
Reduced Pressure ◽  
Raman Spectroscopic ◽  
Volatile Liquids ◽  
Ir And Raman

R-P(Se)F2- (R = CH3, C2H5, C3H11, C6H5, N(CH3)2, N(C2H5)2, NHSi(CH3)3) and R-P(Se)FCl-compounds (R = CH3, C2H5) can be prepared by reaction of R-P(Se)Cl2-derivatives with antimony(III)fluoride under reduced pressure. In some cases the oxidation of fluorophophines with elemental selenium is successful. The isolated compounds are colourless volatile liquids which are sensitive to air and moisture. The chemical properties are described.1H-, 19F-, 31P-NMR-, IR- and Raman-spectroscopic data are given. Main stretching frequencies are discussed by comparison with similar oxygen- and sulphur-compounds.

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