The Structure of Bromine 1,4-Dioxanate.

Hassel, O.; Hvoslef, J.; Vihovde, E. Hadler; Sørensen, Nils Andreas

doi:10.3891/acta.chem.scand.08-0873

Cited by 201 publications

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“…The octahedral polymeric structure is not normal in Hg(II) complexes and is present only in some adducts of mercury chloride with solvents such as methanol (32,33), pyridine (34). and 1,4-dioxane (35). For these reasons, and taking into account the similarity of spectral data for both Hg(I1) complexes, it seems logical to propose for them a distorted tetrahedral structure, in which the HAMNU acts as a monodentate ligand (tautomer form I).…”

Section: Resultsmentioning

confidence: 99%

Zn(II), Cd(II), and Hg(II) complexes of 6-amino-3-methyl-5-nitrosouracil

Salas-Peregrín¹,

Moreno‐Carretero²,

Colacio-Rodríguez³

1985

Can. J. Chem.

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J . M. SALAS-PEREGRIN, M. N. MORENO-CARRETERO, and E. COLACIO-RODRIGUEZ. Can. J. Chem. 63, 3573 (1985). The preparation and spectral properties of the complcxes of 6-amino-3-methyl-5-nitroso-uracil (HAMNU) with Zn(ll), Cd(ll), and Hg(l1) ions are reported. The results suggest that the exocyclic oxygen and nitrogen atoms have a much greater tendency to bind to these ions than the ring nitrogen atoms. In Zn(1l) and Cd(l1) complexes, the ligand is N,O-coordinated through the 5-nitroso and 6-oxide groups of (AMNU) in nitrosophenolic anionic form. In the Hg(l1) complexes, the ligand seems to be bound in neutral form. Tetrahedral structures are proposed in all cases. [Traduit par le journal]

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Section: Resultsmentioning

confidence: 99%

Zn(II), Cd(II), and Hg(II) complexes of 6-amino-3-methyl-5-nitrosouracil

Salas-Peregrín¹,

Moreno‐Carretero²,

Colacio-Rodríguez³

1985

Can. J. Chem.

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“…The attractive interaction between halogen atoms and nucleophilic species (hereafter called "halogen bond" or "XB") has drawn the attention of chemists since 1954, when Hassel discovered that the Br-O distance in the 1:1 adduct between Br 2 and dioxane was only 2.71 Å, smaller than the sum of the corresponding van der Waals radii (3.35 Å) [1]. The adduct was immediately recognized as a charge-transfer pair [2], but the details of the interactions were largely unknown.…”

Section: Introductionmentioning

confidence: 99%

Characterization of Halogen Bonded Adducts in Solution by Advanced NMR Techniques

Ciancaleoni

2017

Magnetochemistry

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Abstract:In the last 20 years, a huge volume of experimental work into halogen bonding (XB) has been produced. Most of the systems have been characterized by solid state X-ray crystallography, whereas in solution the only routine technique is titration (by using 1 H and 19 F nuclear magnetic resonance (NMR), infrared (IR), ultraviolet-visible (UV-Vis) or Raman spectroscopies, depending on the nature of the system), with the aim of characterizing the strength of the XB interaction. Unfortunately, titration techniques have many intrinsic limitations and they should be coupled with other, more sophisticated techniques to provide an accurate and detailed description of the geometry and stoichiometry of the XB adduct in solution. This review will show how crucial information about XB adducts can be obtained by advanced NMR techniques, nuclear Overhauser effect-based spectroscopies (NOESY, ROESY, HOESY . . . ) and diffusion NMR techniques (PGSE or DOSY).

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“…[25] Indeed, depending on the nature of X and of the solvent, also a competitive lone pair-π interaction is possible, favored by the electronic depauperation of the aromatic ring due to the presence of the fluorine atoms. [26] It is also noteworthy that nuclei different than 1 indication that the XB between neutral species is generally measurable only in apolar solvents. In the case of anionic XB acceptors, Ka can be large also in polar solvents.…”

Section: D Nmr Techniques: Applicationsmentioning

confidence: 99%

“…And, indeed, the amount of information that can be extracted just by this reliable, fast and simple technique is impressive. Already in 1979, Bertrán and Rodríguez used 1 H NMR spectra to demonstrate the presence of XB in solution, [19] using the difference of δCH in cyclohexane (a very weakly interacting solvent) and in the solvent of interest. Interestingly, very good correlations arose from the results of iodo-and bromoform, whereas the correlations between the results of iodo-and chloroform were poor.…”

Section: D Nmr Techniques: Applicationsmentioning

confidence: 99%

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Characterization of Halogen Bonded Adducts in Solution by Advanced NMR Techniques

Ciancaleoni¹

2017

Preprint

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Abstract:In the last 20 years, a huge amount of experimental results about halogen bonding (XB) has been produced. Most of the systems have been characterized by solid state X-ray crystallography, whereas in solution the only routine technique is the titration (by using 1 H and 19 F NMR, IR, UV-Vis or Raman spectroscopies, depending on the nature of the system), with the aim of characterizing the strength of the XB interaction. Unfortunately, the titration techniques have many intrinsic limitations and they should be coupled with other, more sophisticated techniques to have an accurate and detailed description of the geometry and stoichiometry of the XB adduct in solution. In this review, it will be shown how crucial information about XB adducts can be obtained by advanced NMR techniques, as Nuclear Overhauser Effect-based Spectroscopies (NOESY, ROESY, HOESY…) and diffusion NMR techniques (PGSE or DOSY).

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The Structure of Bromine 1,4-Dioxanate.

Cited by 201 publications

References 0 publications

Zn(II), Cd(II), and Hg(II) complexes of 6-amino-3-methyl-5-nitrosouracil

Zn(II), Cd(II), and Hg(II) complexes of 6-amino-3-methyl-5-nitrosouracil

Characterization of Halogen Bonded Adducts in Solution by Advanced NMR Techniques

Characterization of Halogen Bonded Adducts in Solution by Advanced NMR Techniques

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