Long- and short-range NMR coupling parameters in closo-2,4-C2B5H7 and a number of its derivatives

Wonwoo Nam, Michael Soltis, Chester Gordon, Sharon Lee, Thomas Onak

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8 Scopus citations

Abstract

Several types of previously unobserved long- and short-range spin couplings in closo-2,4-C2B5H7, and some of its derivatives, are reported. Values for these couplings, obtained from resolution-enchanced proton and boron-11 NMR spectra, fall in the following ranges: 8-19 Hz for 3J(H7,B1) or 2J(H7,B3); 1.51-2.05 Hz for 4J(H2,H5) and 4J(H4,H6); 2.76-4.63 Hz for 4J(H2,H4); 0.43-0.73 Hz for 3J(H1,H5), 3J(H1,H6), 3J(H7,H5), and 3J(H7,H6); 25-42 Hz for 1J(11B5,11B6). The 1H,1H coupling values have been derived from NMRENIT analyses of the observed 1H{11B,10B} patterns; additionally much improved values of some previously reported couplings and chemical shifts have been obtained for the various derivatives of this carborane system. For 1,5,6-(CH3)3-2,4-C2B5H4, 2J(Hapex melhyl,B1) = 6 Hz and 5J(Hapex methyl, H7) or 4J(apex melhyl,H3) = 0.4 Hz.

Original languageEnglish
Pages (from-to)399-405
Number of pages7
JournalJournal of Magnetic Resonance (1969)
Volume59
Issue number3
DOIs
StatePublished - 1 Oct 1984

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