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    Poly(tetrafluorobenzo[c]thiophene). Structure Analysis of Oligomers and Model Compound Based on 1D and 2D NMR Spectroscopy
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    Abstract:
    In order to help provide a more detailed structural analysis of poly(4,5,6,7-tetrafluorobenzo[c]thiophene), a series of aromatic fluorinated oligomers (n = 1−4) and 1,3-dithienyl-4,5,6,7-benzo[c]thiophene have been synthesized. Structure analysis of these compounds by means of 1D and 2D NMR techniques provides a set of spectroscopic NMR data which can be considered as characteristic for the aromatic structure of the corresponding polymer. In addition to 19F-decoupled 13C NMR spectroscopy and attached fluorine tests, the method of full chemical shift assignment based on two-dimensional 1H−13C heteronuclear correlation (HETCOR) experiments optimized for JCH = 140 Hz and JCH = 8 Hz was extended with two-dimensional 19F−13C heteronuclear correlation (HETCOR) experiments optimized for JCF = 255 Hz and JCF = 45 Hz and 19F−19F homonuclear correlation spectroscopy (COSY).
    Keywords:
    Heteronuclear molecule
    Homonuclear molecule
    Chemical shift
    Fluorine
    Heteronuclear molecule
    Homonuclear molecule
    Pulse sequence
    Decoupling (probability)
    Coupling constant
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    The complex [Pt2(µ-S)(µ-dppm)(σ-dppm)2](dppm = Ph2PCH2PPh2) prepared by reaction of [Pt2(µ-dppm)3] with COS, acts as a tridentate (P2S donor) ligand for square planar metal atoms and hence gives homonuclear (Pt3) or heteronuclear (Pt2M, M = Pd, Rh, or Ir) complexes, which show unusual fluxional behaviour involving sulphur inversion.
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    Heteronuclear molecule
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    The concept of multiple-FID acquisition (MFA) within the same scan is applied to acquire simultaneously multiple 2D spectra from a single NMR experiment. A discussion on the incorporation of the MFA strategy in homonuclear and heteronuclear pulse sequences is presented. Several novel COSY- and HMBC-type experiments are reported as a time-efficient solution in small-molecule NMR spectroscopy.
    Homonuclear molecule
    Heteronuclear molecule
    Pulse sequence
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    Abstract By means of density functional theory (DFT) computations, the CO/O 2 adsorption and CO oxidation pathways on the biatom catalyst, namely the heteronuclear Fe 1 Cu 1 @C 2 N, in comparison with its homonuclear counterparts Fe 2 @C 2 N and Cu 2 @C 2 N are systemically investigated. The reactions of O 2 dissociation and CO oxidization with preadsorbed CO or O 2 are comparably studied. The computations find that the heteronuclear species Fe 1 Cu 1 @C 2 N possesses high stabilities and is feasible to be synthesized experimentally. More importantly, the heteronuclear Fe 1 Cu 1 @C 2 N catalyst has even better catalytic activity toward CO oxidation than its homonuclear counterparts, especially, without suffering the CO‐poisoning problem. Considering the myriad of unexplored heteronuclear dimers that can be potentially anchored at appropriate supports, this work opens a new avenue and provides a useful guideline for further developing bimetal‐based nanocatalysts.
    Heteronuclear molecule
    Homonuclear molecule
    Bimetal
    Nanomaterial-based catalyst
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    Heteronuclear molecule
    Homonuclear molecule
    Gold cluster
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    The complete assignment of the 1H, 13C and 19F NMR spectra of eight fluoro-substituted 3H-naphthopyrans was achieved by the concerted application of homonuclear (1H–1H) and heteronuclear (13C–1H and 19F–1H) correlations. Copyright © 1999 John Wiley & Sons, Ltd.
    Homonuclear molecule
    Heteronuclear molecule
    Carbon-13 NMR satellite
    Proton NMR