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• W2890611670 endingPage "4981" @default.
• W2890611670 startingPage "4972" @default.
• W2890611670 abstract "Reaction of Co(NCS) 2 with 4‐dimethylaminopyridine (DMAP) leads to the formation of four new compounds. The crystal structures of Co(NCS) 2 (DMAP) 2 (H 2 O) 2 · 2H 2 O ( 1 ), Co(NCS) 2 (DMAP) 2 (MeOH) 2 ( 2 ) and Co(NCS) 2 (DMAP) 2 (MeCN) 2 ( 3 ) consist of discrete simple solvato complexes in which the Co cations are octahedrally coordinated by two terminally N‐bonded thiocyanate anions, two DMAP ligands as well as two solvato ligands. Co(NCS) 2 (DMAP) 2 ( 4/II ) also forms discrete complexes, but the Co cations are tetrahedral coordinated by two anionic ligands and two DMAP ligands. Upon heating, the hydrate 1 transforms into 4/II , whereas the methanol solvate 2 transforms into a new polymorphic modification of Co(NCS) 2 (DMAP) 2 ( 4/I ). For structure determination the corresponding Zn(NCS) 2 compound was prepared that is isotypic to 4/I . Solvent mediated conversion experiments prove that 4 / II represents the thermodynamic stable form at room‐temperature and density functional theory (DFT) calculations indicate that this form is also stable at 0 K. Upon heating both modifications show melting with the higher melting polymorph 4/I having the lower melting enthalpy. Temperature dependent X‐ray powder diffraction shows that 4/II transforms into 4/I upon heating. All experimental results indicate, that both modifications are related by enantiotropism." @default.
• W2890611670 created "2018-09-27" @default.
• W2890611670 creator A5000883597 @default.
• W2890611670 creator A5013386968 @default.
• W2890611670 creator A5026356157 @default.
• W2890611670 creator A5085201030 @default.
• W2890611670 date "2018-11-08" @default.
• W2890611670 modified "2023-09-30" @default.
• W2890611670 title "Selective Synthesis and Thermodynamic Relations of Polymorphic Co(NCS) ₂ ‐4‐Dimethylaminopyridine Coordination Compounds" @default.
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• W2890611670 doi "https://doi.org/10.1002/ejic.201800741" @default.
• W2890611670 hasPublicationYear "2018" @default.
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