1968
DOI: 10.1107/s0567740868002505
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The crystal structure of iodine monobromide, IBr

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Cited by 30 publications
(18 citation statements)
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“…Since the two I-Br distances are nearly identical, the FT-Raman peak at 204 cm À1 can be assigned to the symmetric combination of the stretching vibrations of the two slightly perturbed IBr molecules. As expected, the value of the vibration frequency reflects the smaller elongation of the coordinated IBr molecules in 3 AE 2IBr compared to those found in the solid state (solid state: 2.521 Å , m = 216 cm À1 [34,40]; gas phase: 2.470 Å , m = 262 cm À1 [41]; calculated, 2.505 Å , m = 271 cm À1 and 2.502 Å , m = 270 cm À1 at DFT and MP2 level, respectively). Accordingly, the FT-Raman frequencies reported for stronger CTadducts between thioether [35] or thiocarbonyl and donors IBr [42,43] are correspondingly lower, falling in the ranges 166-184 and 144-147 cm À1 , respectively.…”
Section: Ft-raman Spectroscopymentioning
confidence: 54%
“…Since the two I-Br distances are nearly identical, the FT-Raman peak at 204 cm À1 can be assigned to the symmetric combination of the stretching vibrations of the two slightly perturbed IBr molecules. As expected, the value of the vibration frequency reflects the smaller elongation of the coordinated IBr molecules in 3 AE 2IBr compared to those found in the solid state (solid state: 2.521 Å , m = 216 cm À1 [34,40]; gas phase: 2.470 Å , m = 262 cm À1 [41]; calculated, 2.505 Å , m = 271 cm À1 and 2.502 Å , m = 270 cm À1 at DFT and MP2 level, respectively). Accordingly, the FT-Raman frequencies reported for stronger CTadducts between thioether [35] or thiocarbonyl and donors IBr [42,43] are correspondingly lower, falling in the ranges 166-184 and 144-147 cm À1 , respectively.…”
Section: Ft-raman Spectroscopymentioning
confidence: 54%
“…This three-center four-electron bonding also occurs, for example, in e-and fl-ICl (Boswijk, van der Heide, Vos & Wiebenga, 1956;Carpenter & Richards, 1962), in IBr (Swink & Carpenter, 1968), and in the ICI~ and IBr~ anions (Soled & Carpenter, 1973 a, b). When atoms X-Y-Z are linked by a three-center four-electron bond, bonds X-Y and Y-Z are weaker and longer than normal electron-pair bonds.…”
Section: Discussionmentioning
confidence: 99%
“…It is tempting to refer to the most simple mixed bromine/iodine compound, crystalline iodine bromide IBr, as a standard, where intermolecular I-Br contacts were found to be 3.24 and 3.39Å, as compared to the short intramolecular distance (i.e. the I-Br bond length) of 2.52Å [23]. However, the special nature of the I-Br bond may not offer suitable reference values, and the shortest intermolecular contacts in the crystal structures of 1 and 2 should better serve this purpose.…”
Section: 4(3)mentioning
confidence: 99%