A new polymorph of phenylselenium trichloride
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Bloomfield, Hannah R.
Ritch, Jamie S.
Date
2019-11Citation
Bloomfield, H. R.; Ritch, J. S. Acta Cryst. (2019). C75, 1471–1474
Abstract
A second polymorph of phenylselenium trichloride, PhSeCl3 or C6H5Cl3Se, is
disclosed, which is comprised of asymmetric chlorine-bridged noncovalent
dimer units rather than polymeric chains. These dimers are each weakly bound
to an adjacent dimer through noncovalent Se...Cl bonding interactions. Phenyl
rings within each dimer are oriented in a syn fashion. Density functional theory
(DFT) calculations reveal that the putative anti isomer is within 5 kJ mol-1 of
the experimentally observed form. This structure represents the first additional
polymorph discovered for an organoselenium trihalide compound.