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Volumn 8, Issue 23, 2002, Pages 5340-5350

An intramolecular N-H⋯(μ-H)Re2 dihydrogen bond and a novel μ3-η2 coordination mode of the pyrazolate anion on a triangular cluster face

Author keywords

Cluster compounds; Hydride ligands; Hydrogen bonds; NMR spectroscopy; Pyrazole; Structure elucidation

Indexed keywords

HYDRIDES; INFRARED RADIATION; NEGATIVE IONS; NUCLEAR MAGNETIC RESONANCE; X RAY DIFFRACTION;

EID: 0037011179     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20021202)8:23<5340::AID-CHEM5340>3.0.CO;2-S     Document Type: Article
Times cited : (23)

References (81)
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    • The d(H⋯H) values have been computed with the bridging hydride positions reported in the original papers and with N-H bond lengths normalised to 1.0 Å.
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    • 2 solution, the position of the NH signal of 3 showed a significant temperature dependence (from δ = 12.32 ppm at 193 K to δ = 10.7 ppm at 273 K).
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    • -, remained very low, as in dicloromethane.
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    • On varying the temperature from 193 to 300 K, we only observed a shift of 6 (from -12.01 to -11.71) without a significant change of the bandwidth.
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    • Some of these differences are not statistically significant since standard uncertainties of C-C and C-N bond lengths are as large as 0.01 Å. However, the observed trend is consistent with the expected localisation of the double bonds in the pyrazolato moiety.
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    • 2 showed that the rate of formation of 5 in this solvent was significantly reduced (≈7 % of 5 after 29 h).


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