Coordination diversity of N-phosphoryl-N′-phenylthiourea (LH) towards Co, Ni and Pd cations: Crystal structure of ML2-N,S and ML2-O,S chelates期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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Coordination diversity of N-phosphoryl-N′-phenylthiourea (LH) towards Co, Ni and Pd cations: Crystal structure of ML₂-N,S and ML₂-O,S chelates

Authors:	Felix D Sokolov Valery G Shtyrlin Vasily V Brusko Sergey V Baranov Tadeusz Glowiak

Institution:	^a Kazan State University, Department of Chemistry, Kremlevskaya Street 18, Kazan 420008, Russia ^b University of Wroclaw, Faculty of Chemistry, F. Joliot-Curie 14, 50-383 Wroclaw, Poland

Abstract:	Thiourea, PhNHC(S)NHP(O)(OPrⁱ)₂ (LH) chelates of Co^II, Ni^II, and Pd^II ions have been obtained and investigated by single-crystal X-ray diffraction, UV, IR, NMR spectroscopy, and EI mass-spectrometry. The unusual 1,3-N,S-coordination via sulfur and NP(O) nitrogen atoms has been found in the trans-square-planar NiL₂ and PdL₂ complexes, whereas the 1,5-O,S-coordination is realized in the tetrahedral CoL₂ complex. DFT calculations have revealed significant stabilization of the 1,3-N,S-structures due to stronger crystal field and the NH-OP hydrogen bonds.

Keywords:	Thiourea coordination Substituent effects Co^II complexes Ni^II complexes Pd^II complexes N S-coordination O S-coordination
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