TY - JOUR
T1 - Structure and dynamics of the hydrated palladium(II) ion in aqueous solution A QMCF MD simulation and EXAFS spectroscopic study
AU - Persson, Ingmar
AU - Shah, Adnan Ali
AU - Rode, Bernd M.
AU - Randolf, Bernhard R.
AU - Hofer, Thomas S.
PY - 2007
Y1 - 2007
N2 - The pharmacologically and industrially important palladium(II) ion is usually characterised as square-planar structure in aqueous solution, similar to the platinum(II) ion. Our investigations by means of the most modern experimental and theoretical methods give clear indications, however, that the hydrated palladium(II) ion is hexa-coordinated, with four ligands arranged in a plane at 2.0 angstrom plus two additional ligands in axial positions showing an elongated bond distance of 2.7-2.8 angstrom. The second shell consists in average of 8.0 ligands at a mean distance of 4.4 angstrom. This structure provides a new basis for the interpretation of the kinetic properties of palladium(II) complexes. (C) 2007 Elsevier B.V. All rights reserved.
AB - The pharmacologically and industrially important palladium(II) ion is usually characterised as square-planar structure in aqueous solution, similar to the platinum(II) ion. Our investigations by means of the most modern experimental and theoretical methods give clear indications, however, that the hydrated palladium(II) ion is hexa-coordinated, with four ligands arranged in a plane at 2.0 angstrom plus two additional ligands in axial positions showing an elongated bond distance of 2.7-2.8 angstrom. The second shell consists in average of 8.0 ligands at a mean distance of 4.4 angstrom. This structure provides a new basis for the interpretation of the kinetic properties of palladium(II) complexes. (C) 2007 Elsevier B.V. All rights reserved.
UR - https://res.slu.se/id/publ/15082
U2 - 10.1016/j.cplett.2007.08.009
DO - 10.1016/j.cplett.2007.08.009
M3 - Journal article
SN - 0009-2614
VL - 445
SP - 193
EP - 197
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 45753
ER -