Bromine-79 NQR for uncoordinated Br ions in fraw5-[CoBr2(en)2][H502]Br2*
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چکیده
A single 7 Br N Q R line showing a frequency of 19.594 M H z at room temperature has been observed in the crystals of trans-[CoBr2(en)2] [ H 5 0 2 ] B r 2 and assigned to the B r " ions which are not coordinated to the central Co(II I) atom. The electric field gradient (EFG) at the B r " nuclei arises from O H • • • B r " hydrogen bond formation between the B r " ions and the terminal O H hydrogen atoms in [ H 5 0 2 ] + ions. The induced E F G is greater for the present bromine complex than that for the isostructural chlorine complex. A point charge model calculation explains well the relative magnitude of the E F G in the two crystals by introducing Sternheimer's antishielding factors for the halogen ions.
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تاریخ انتشار 2012