Supramolecular structures for determination and identification of the bond lengths in novel uranyl complexes from their infrared spectra
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.10.020
Abstract: Abstract Novel dioxouranium (VI) heterochelates with neutral bidentate compounds (Ln) have been synthesized. The ligands and the heterochelates [UO2(Ln)2(O2NO)2] were confirmed and characterized by elemental analysis, 1H NMR, UV.–Vis, IR, mass spectroscopy, X-ray diffraction and… read more here.
Keywords: determination identification; bond; supramolecular structures; identification bond ... See more keywords
Learning Correlations between Internal Coordinates to Improve 3D Cartesian Coordinates for Proteins.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c01270
Abstract: We consider a generic representation problem of internal coordinates (bond lengths, valence angles, and dihedral angles) and their transformation to 3-dimensional Cartesian coordinates of a biomolecule. We show that the internal-to-Cartesian process relies on correctly… read more here.
Keywords: correlations internal; internal coordinates; cartesian coordinates; learning correlations ... See more keywords
Flux Crystal Growth of the Extended Structure Pu(V) Borate Na2(PuO2)(BO3).
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c11355
Abstract: As part of our exploration of plutonium-containing materials as potential nuclear waste forms, we report the first extended structure Pu(V) material and the first Pu(V) borate. Crystals of Na2(PuO2)(BO3) were grown out of mixed hydroxide/boric… read more here.
Keywords: bond lengths; puo2 bo3; na2 puo2; structure ... See more keywords
Synthesis and structure of two isomers of a molybdenum(II) 2-butyne complex stabilized by bioinspired S,N-bidentate ligands.
Sign Up to like & getrecommendations! Published in 2022 at "Acta crystallographica. Section C, Structural chemistry"
DOI: 10.1107/s2053229622002029
Abstract: The synthesis and structural determination of two isomers of the molybdenum(II) complex (η2-but-2-yne)carbonylbis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)benzenethiolato-κ2N,S]molybdenum(II), [Mo(C11H12NOS)2(C4H6)(CO)] or Mo(CO)(C2Me2)(S-Phoz)2, are presented. The N,N-cis-S,S-trans isomer 1 shows quite different bond lengths to the metal atom [Mo-N = 2.4715 (10) versus 2.3404 (11) Å;… read more here.
Keywords: two isomers; structure two; bond lengths; synthesis structure ... See more keywords
Synthesis and Structure Features of Tetraphenylantimony 2,3-Difluoro- and 2,3,4,5,6-Pentafluorobenzoate
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DOI: 10.14529/chem200402
Abstract: Tetraphenylantimony 2,3-difluorobenzoate (1) and tetraphenylantimony 2,3,4,5,6-pentafluorobenzoate (2) was obtained by the interaction of pentaphenylantimony with 2,3-difluorobenzoic and 2,3,4,5,6-pentafluorobenzoic acids in benzene with a yield of up to 98 %. The compounds were also synthesized by… read more here.
Keywords: ray diffraction; features tetraphenylantimony; tetraphenylantimony difluoro; synthesis structure ... See more keywords
Analytical Modeling of Debonding Mechanism for Long and Short Bond Lengths in Direct Shear Tests Accounting for Residual Strength
Sign Up to like & getrecommendations! Published in 2021 at "Materials"
DOI: 10.3390/ma14216690
Abstract: Interfacial debonding in fiber-reinforced composites is a common problem, especially in external strengthening techniques. This investigation aims to determine the load during debonding, and discusses two practical design parameters for direct shear tests, which are… read more here.
Keywords: bond; shear tests; residual strength; direct shear ... See more keywords
REACTION OF MOLECULAR OXYGEN WITH CHROMIUM, COBALT AND NICKEL METALLOCENES IN DIMETHYLSULFOXIDE. CORRELATION BETWEEN ITS POLAROGRAPHIC AND BOND LENGTHS PARAMETERS
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the Chilean Chemical Society"
DOI: 10.4067/s0717-97072019000204412
Abstract: The reaction of oxidation with molecular oxygen in dimethyl sulfoxide is of order one in the metallocenes; the specific reaction constant decreases from nickel, chromium to cobalt. A reaction mechanism is proposed. The values of… read more here.
Keywords: bond lengths; reaction; chromium cobalt; molecular oxygen ... See more keywords