The Protonation of Dithiocarbamic Acid in Superacids HF/MF5: Synthesis and Characterization of H2NC(SH)2 + MF6– (M = As, Sb)

2012 ◽  
Vol 67 (12) ◽  
pp. 1235-1240 ◽  
Author(s):  
Joachim Axhausen ◽  
Geraldine Rühl ◽  
Andreas Kornath
Keyword(s):  
Raman Spectroscopy ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Inert Gas ◽  
Synthesis And Characterization ◽  
Vibrational Modes ◽  
Gas Atmosphere ◽  
Dithiocarbamic Acid ◽  
Ir And Raman

Dithiocarbamic acid reacts in the superacidic media HF/MF5 (M = As, Sb) under formation of the corresponding salts H2NC(SH)2+ MF6-. The colorless compounds are stable in an inert gas atmosphere up to -20 °C. The salts have been characterized by NMR, IR and Raman spectroscopy. Reactions in DF/AsF5 were carried out to obtain D2NC(SD)2+ AsF6- in order to confirm the assignments of the observed vibrational modes. Additionally, quantum-chemical calculations of the free cation, [A2NC(SA)2]+ (A=H, D), and of the [A2NC(SA)2(3HF)]+ unit on the PBE1BPE/6-311G(3df,3pd) level of theory are discussed.

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...

Synthesis and characterization of β,β’-dimethylated dithieno[3,2-b:2’,3’-d]pyrroles and their corresponding regioregular conducting electropolymers

2021 ◽  
Author(s):  
Peter Baeuerle ◽  
Sebastian Foertsch ◽  
Elena Mena-Osteritz
Keyword(s):  
Conducting Polymers ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Building Blocks ◽  
Synthesis And Characterization ◽  
Organic Electronic ◽  
Functional Dyes

β,β’-Dimethyl-substituted dithieno[3,2-b:2’,3’-d]pyrroles (Me-DTP) 2-7 represent novel electron-rich building blocks, which were converted to corresponding conducting polymers p(Me-DTP) and to functional dyes for organic electronic applications. Supported by quantum chemical calculations,...

scholarly journals Some insights into the reactivity of oxovanadium phosphate: Synthesis and characterization of an VOPO4-H2N(CH2)3NH2 coordination compound

2005 ◽  
Vol 70 (11) ◽  
pp. 1283-1290 ◽  
Author(s):  
Farias de ◽  
Claudio Airoldi
Keyword(s):  
Quantum Chemical Calculations ◽  
Coordination Compound ◽  
Elemental Analysis ◽  
Host Species ◽  
Quantum Chemical ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns

The lamellar matrix of VOPO4?2H2O was used as the host species to prepare a VOPO4-1,3-diaminopropane coordination compound. The oxovanadium matrix and the synthesized hybrid were characterized by elemental analysis, infared spectroscopy, thermogravimetry, X-ray diffractometry and SEM microscopy. The elemental analysis results, as well as the X-ray diffraction patterns and quantum chemical calculations, strongly suggest that the synthesized matrix is an equimolar (1:1) mixture of two compounds with the formulas VOPO4?[H 2N-(CH2)3-NH2] and VOPO4?[H2N-(CH2)3-NH2]0.5. The SEM micrographs obtained for the VOPO4- diaminopropane hybrid matrix show that the microstructure of VOPO4?2H2O is changed after reaction, with an overall exfoliation of the oxovanadium matrix.

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.

Synthesis and Characterization of Tris(trimethyltin) Thiophosphate (Me3Sn)3PO3S

1993 ◽  
Vol 48 (12) ◽  
pp. 1781-1783 ◽  
Author(s):  
Abdel-Fattah Shihada
Keyword(s):  
Aqueous Medium ◽  
Raman Spectra ◽  
Mass Spectra ◽  
Ir And Raman Spectra ◽  
Synthesis And Characterization ◽  
Polymeric Structure ◽  
Ir And Raman

(Me3Sn)3PO3S has been prepared from the reaction of Me3SnCl with Na3PO3S • 12 H2O under cooling in aqueous medium. Its IR and Raman spectra are found to be consistent with a polymeric structure with tetra- and penta-coordinated tin atoms. The 31P NMR and mass spectra of (Me3Sn)3PO3S are reported and discussed.

Sign in / Sign up

Export Citation Format

Share Document