13C and 119Sn NMR spectra of some triphenyltin 4-substituted benzoates dissolved in coordinating and non-coordinating solvents (original) (raw)
Related papers
13C and 119Sn NMR study of some triphenyltin(IV) carboxylates
Journal of Organometallic Chemistry, 1983
4-SH, 4-I, 4-C], 4-CN, 4-NOz, 2-OH and 2-NH,) have been recorded. The values of the chemical shifts &(1'9Sn) and S(13C)ipso and the coupling constants ' J('19Sn!3C) of the t~ph~ylt~(~ group provide evidence that the compounds are monomeric species in the solutions irrespective of their structure in the solid state.
Magnetic Resonance in Chemistry, 2011
NMR measurements ( 119 Sn chemical shift, line width and 13 C relaxation) were made on triphenyltin chloride in two solutions, 2.5 and 0.75 mol% in CDCl 3 , at several temperatures. The 13 C spin-lattice relaxation time and NOE data for the phenyl carbons provide the corresponding correlation times for the overall molecular reorientational motion and the internal rotation of the phenyl groups. The results are indicative of a weak intermolecular association of the triphenyltin chloride molecules in solution and are discussed with reference to a model for intermolecular phenyl ring p-p stacking interactions.
13C and 119Sn NMR Spectra of Some Mono-n-butyltin(IV) Compounds
Collection of Czechoslovak Chemical Communications, 1995
The 13C and 119Sn NMR spectra of some mono-n-butyltin(IV) compounds in solution of non-coordinating (CDCl3 and CD3NO2) and coordinating ((CD3)2SO and C5D5N) solvents have been studied. From the values of delta(119Sn), 1J(119Sn,13C) and additional 13C NMR parameters an evaluation of the coordination numbers of the central tin atom and the shapes of coordination polyhedra around the tin atom has been carried out.
Journal of Molecular Structure, 2020
This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
13C and 119Sn NMR spectra of diphenyl- and dibenzyltin(IV) compounds and their complexes
Collection of Czechoslovak Chemical Communications, 1990
13C and 119Sn NMR spectra of diphenyl- and dibenzyltin(IV) compounds have been studied in solutions of coordinating and non-coordinating solvents. Regions of values of the δ(119Sn) chemical shifts have been determined which characterize individual types of coordination of the central tin atom. The values of 13C NMR spectral parameters, the δ(13C) chemical shifts and nJ(119Sn, 13C) coupling constants, have been used to describe the real shapes of coordination sphere of the central tin atom and to discuss the internal structure of the organic substituents and of the nature of their bonding linkage to the tin atom.
Inorganica Chimica Acta, 2001
An intramolecular donor/acceptor Sn N bonding connection in a set of triphenyl-and diphenyl-(halogeno)tin(IV) C,N-chelates, Ph 2 XSnL, where Ph=C 6 H 5 , X=Ph, Cl or Br and L 1 = 2-(dimethylaminomethyl)phenyl-, C 6 H 4 (CH 2 NMe 2)-2, and L 2 =2,6-bis-[(dimethylaminomethyl)phenyl]-, C 6 H 3 (CH 2 NMe 2) 2-2,6, respectively, was studied by 119 Sn, 15 N, 13 C and 1 H NMR spectroscopy in solution of non-coordinating solvent (CDCl 3) and by 119 Sn cross-polarization/magic angle spinning NMR techniques in the solid-state. The existence of Sn N coordination bonds was confirmed in studied compounds and their strengths were evaluated through the values of NMR spectra parameters of nuclei directly involved in Sn N connection, namely by characteristic changes of chemical shifts l(119 Sn) and l(15 N) and values of J(119 Sn, 13 C) and J(119 Sn, 15 N) coupling constants. The set was extended by compound [2,6-C 6 H 3 (CH 2 NMe 2) 2 ]PhSnCl 2 (5a), that is the decomposition product of compound [2,6-C 6 H 3 (CH 2 NMe 2) 2 ]Ph 2 SnCl (5). This 5a was characterized by NMR spectroscopy and its structure was estimated by X-ray diffraction techniques.
NMR, FTIR and DFT study of the interaction of the benzoate anion with meso-octamethylcalix[4]pyrrole
Chemical Physics Letters, 2013
Benzoate anion forms a strong complex with meso-octamethylcalix pyrrole in nitrobenzene with the stabilization constant K = 3.88 Â 10 5 mol À1 L À1 at 298 K. According to NMR and FTIR spectra and DFT calculations, the benzoate anion is symmetrically bound by two pairs of hydrogen bonds to its oxygen atoms. The bound anion is prone to fast exchange with a free anion of the same kind, the exchange correlation time being 4.93 Â 10 À5 s at 298 K.
Journal of Coordination Chemistry, 2020
The triphenyltin(IV) complex of composition [Ph 3 Sn(3,5-(NO 2) 2 C 6 H 2 (OH)CONHO)] (1) has been synthesized by the reaction of Ph 3 SnCl with potassium 3,5-dinitrosalicylhydroxamate [3,5-(NO 2) 2 C 6 H 2 (OH)CONHOK] and characterized by physicochemical studies, spectroscopic techniques (IR, 1 H 13 C, and 119 Sn NMR), and mass spectrometry. The electrochemical behavior of ligand and 1 have been studied by cyclic voltammetry. The thermal behavior of 1 has been studied by thermogravimetric techniques (TGA, DTG, and DTA) and various kinetic parameters have been calculated. The optimized geometry of 1 was computed by the DFT method using B3LYP/631-G Ã set. The vibrational frequencies, 1 H and 13 C NMR spectra have been computed and compared with the experimental data. The global descriptors have been calculated. The various thermodynamic parameters, Gibbs free energy (G), enthalpy (H), entropy (S), bond energy (E), constant heat volume capacity (C v), internal energy (U), and dipole moment (m) have been calculated. The in vitro antimicrobial activity assay against pathogenic gram-(À) bacteria viz. Salmonella typhi, Escherichia coli; gram-(þ) bacteria Bacillus cereus and Staphylococcus aureus; and fungi Fusarium sambucinum and Rhizoctona solani by MIC method; the in vitro cytotoxicity on human muscle rhabdomyosarcoma (RD) by MTT method and the antioxidant potential by DPPH free radical scavenging showed higher inhibitory effect of 1 than ligand.