Cuvette washing apparatus

Nově navržené zařízení se používá pro čištění vnitřního prostoru kyvet s vnitřním průměrem v rozmezí 2-10 mm, ale lze ji uzpůsobit tak, aby bylo možné vymývat i kyvety větších průměrů. Promývačka je vhodná zejména pro NMR a EPR, ale také další podobné kyvety ze skla i jiných materiálů.Newly designed equipment used to clean the inside of cuvettes with an internal diameter of 2-10 mm. It can be adapted in order to rinse out even larger cuvettes. The washer is suitable especially for use with NMR and EPR cuvettes, but also other similar ones made from various materials | glass,metal, plas

Theoretical and experimental studies of IR and NMR spectra of gem-2,2-diamino-4,4,6,6-tetraphenoxy-1,3,5-cyclo-triaza-lambda5-phosphorine

Pomocí DFT byla studována vibrační spektra gem-2,2-diamino-4,4,6,6-tetrafenoxy-cyklo-trifosfazenu. Vybrané vibrační pásy byly přiřazeny k normálním vibračním módům na základě DFT výpočtů. K těmto výpočtům byl použit program ADF. Byla změřena 1H, 13C NMR spektra, spektra vyššího řádu: 31P, 31P{1Ham.(sel.)} and 31P{1Harom.(sel.)} a ze spekter byly odečteny hodnoty interakčních konstant 1J(C,H), 2J(C,H) a 2J(PI,PII). Byl simulován téměř kompletní spinový systém ABB'M4X4X4' odpovídající symetrii molekuly C2 a poprvé byly zjištěny hodnoty interakčních konstant 2J(PI,Ham.), 4J(PII,Ham.), 4J(PII,Harom.), 6J(PI,Harom.) a 6J(PII,H'arom.). Pro simulaci byl použit program gNMR. Data získaná z naměřených NMR spekter byla také porovnána s výsledky kvantově chemických výpočtů.The vibrational spectra of gem-2,2-diamino-4,4,6,6-tetraphenoxy-1,3,5-cyclo-triaza-lambda5-phosphorine were studied using density functional theory. Selected vibrational bands were assigned to normal modes on the basis of DFT calculation with the ADF program package. The 1H and 13C NMR spectra, the higher order 31P, 31P{1Ham.(sel.)} and 31P{1Harom.(sel.)} NMR spectra were measured and the values of 1J(C,H), 2J(C,H) and 2J(PI,PII) were found. Nearly the complete spin system (ABB'M4X4X4') for the symmetry C2 was simulated with the gNMR simulation program and the values of 2J(PI,Ham.), 4J(PII,Ham.), 4J(PII,Harom.), 6J(PI,Harom.) and 6J(PII,H'arom.) were determined for the first time. The experimental NMR data were also compared with quantum chemical calculation results

Synthesis and characterization of new imidophosphanes and phosphine oxides containing 3,3,4,4-tetramethylsuccinimidyl group

A series of new imidophosphanes and phosphine oxides containing 3,3,4,4-tetramethylsuccinimidyl group were synthesized and characterized by 1H, 13C{1H} and 31P NMR spectroscopy, IR and MS. PhmPCln (m = 3 n, n = 3, 2, 1) reacted with 3,3,4,4-tetramethylsuccinimide (TH) and potassium 3,3,4,4-tetra methylsuccinimidate 1 to give corresponding PhmPTn. Molecular structures of products were established by single-crystal X-ray diffraction experiments. Attempts to prepare new imidophosphoranes by reactions of 1 with PhmPCln (m = 5 n, n = 4, 3, 2) resulted in phosphine oxides. In these reactions the phosphoryl group was formed and we characterized a by-product of this type of reaction

Author's personal copy Reactions of P 4 S 10 and pyPS 2 Cl with N,N 0 -diphenylurea and N,N 0 -diphenylthiourea

Abstract The reaction of P 4 S 10 (1) with N,N 0 -diphenylurea (PhNH) 2 CO (2) results in new heterocyclic compounds: the pyridinium salt of 1,3-diphenyl-2-sulfido-2-thioxo-1,3-diaza

Di-μ-chlorido-bis[diacetonitrilechloridooxidovanadium(IV)]

The title compound, [V2Cl4O2(CH 3CN)4], is a centrosymmetric dinuclear VIV complex associated with four molecules of acetonitrile. The coordination around both VIV atoms is essentially square-planar, involving three Cl atoms and one O atom [maximum deviation = 0.017 (3) Ă… for the O atom]. The augmented octahedral coordination of the metal atom is completed by the N atoms of acetonitrile ligands. The VIV atoms are linked by two Cl atoms, acting as bridging atoms. The crystal studied was a non-merohedral twin with a ratio of the two twin components of 0.8200 (3):0.1800 (3). Although Cl and O atoms are present as potential acceptors in the title compound, no hydrogen bonds were observed in the crystal structure