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- W2044768654 abstract "9-Borafluorene derivatives 1 (9-R = Et ( a ), Ph ( b ), Cl ( c ), NEt 2 ( d )), the pyridine adduct 1py + and 1,2-(2,2′-biphenylylene)-1,2-diethyldiborane(6) ( 3 ), were studied by 11 B and 13 C NMR spectroscopy to obtain a fairly complete data set for the first time. The molecular structure of the doubly hydrogen-bridged 1,2-diphenylenediborane 3 was determined by X-ray diffraction. The gas-phase structures of the compounds 1 , related derivatives, and of some doubly hydrogen-bridged 1,2-diphenylenediboranes were optimized by quantum chemical calculations (B3LYP/6-311+G(d,p) level of theory) and NMR parameters, such as chemical shifts, 11 B chemical shift tensors and indirect nuclear 13 C– 11 B spin–spin coupling constants were calculated at the same level of theory and compared with experimental data." @default.
- W2044768654 created "2016-06-24" @default.
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- W2044768654 date "2010-01-01" @default.
- W2044768654 modified "2023-09-25" @default.
- W2044768654 title "9-Borafluorenes – NMR spectroscopy and DFT calculations. Molecular structure of 1,2-(2,2′-diphenylylene)-1,2-diethyldiborane" @default.
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- W2044768654 doi "https://doi.org/10.1135/cccc2010015" @default.
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