Coordination diversity of N-phosphoryl-N′-phenylthiourea (LH) towards CoII, NiII and PdII cations: Crystal structure of ML2-N,S and ML2-O,S chelates

Magnetic Anisotropy in CoIIX4 (X=O, S, Se) Single‐Ion Magnets: Role of Structural Distortions versus Heavy Atom Effect

“…To systematically understand the nature of magnetic anisotropy and also to develop magneto‐structural maps that are correlated to the D parameters, herein we have studied twelve such complexes that possess a variety of coordination sites and differ in terms of ligand substitutions. The molecular formula of the twelve complexes that are studied here are as follows‐ [Co II {N(OPPh 2 )(SPPh 2 )‐ O , S } 2 ] (CCDC 641241) ( 1 ), [Co{PhC( S )‐ N ‐P(O)(O i Pr) 2 } 2 ] (CCDC 225507) ( 2 ), Co[PhNHC(S)NP(O)(OPr‐i) 2 ‐O,S] 2 (CCDC 606359) ( 3 ), [Co{ i PrNHC(S)NP(O)(O i Pr) 2 } 2 ] (CCDC 621219) ( 4 ), [Co{N(SOCN i Pr 2 ) 2 } 2 ] (CCDC 715970) ( 5 ), Co[Ph 2 P(Se)NP(Se)Ph 2 ] 2 (CCDC 137590) ( 6 ), Co[Ph 2 PSNPSPh 2 ] 2 (CCDC 139529) ( 7 ), [Co{N(SeP i Pr 2 ) 2 } 2 ] (CCDC 102141) ( 8 ), [Co{N(SP i Pr 2 ) 2 } 2 ] (CCDC 102143) ( 9 ), Co[Ph 2 PSCHPSPh 2 ] 2 (CCDC 812004) ( 10 ), Co[SPh 2 PNPPh 2 NPPh 2 S] 2 (CCDC 1235748) ( 11 ), Co[SePh 2 PNPPh 2 NPPh 2 Se] 2 (CCDC 1235750) ( 12 ) . The structures are chosen in such a way that both the donor atoms as well as the atoms in the secondary coordination sphere vary to assess the sign and strength of ZFS parameters.…”

Intramolecular hydrogen bond controlled coordination of N-thiophosphorylated thiourea 2,6-Me2C6H3NHC(S)NHP(S)(OiPr)2 with Ni(II)

“…In our previous works we have illustrated for a number of samples the influence of intramolecular hydrogen bonds on the 1,3-N,S-and 1,5-O,S-coordination of N-phosphoryl-N 0 -(R)-thioureas RNHC(S)NHP(O)(OiPr) 2 (R = Ph [1]; R = p-MeOC 6 H 4 , p-BrC 6 H 4 , tBu, c-Hex [2]; iPr [3]; Ad [4]) with Ni(II). It was established that intramolecular hydrogen bonds N-HÁ Á ÁO@P are a necessary condition for the 1,3-N,S-isomer stabilization in square-planar complexes of Ni(II).…”

Intramolecular hydrogen bond controlled monodentate S-coordination of N-phosphoryl-N′-(R)-thioureas with Pd(II)

“…Recently, we reported, that in the square-planar complexes of N-phosphorylthioureas M[RNHC(S)NP(O)(OiPr) 2 ] 2 , where M = Ni(II), R = Ph [6], p-MeOC 6 H 4 , p-BrC 6 H 4 , tBu, iPr, c-Hex [7]; M = Pd(II), R = Ph [6], iPr [7]; M = Cu(II), R = Ph, c-Hex [6], 1,3-N,S-coordination of the anionic ligand is realized.…”