Search results for "Hofmann clathrates"

Guest Modulation of Spin-Crossover Transition Temperature in a Porous Iron(II) Metal Organic Framework: Experimental and Periodic DFT Studies

2014

The synthesis, structure, and magnetic properties of three clathrate derivatives of the spin-crossover porous coordination polymer {Fe(pyrazine)[Pt(CN)(4)]} (1) with five-membered aromatic molecules furan, pyrrole, and thiophene is reported. The three derivatives have a cooperative spin-crossover transition with hysteresis loops 14-29 K wide and average critical temperatures T-c=201 K (1.fur), 167 K (1.pyr), and 114.6 K (1.thio) well below that of the parent compound 1 (T-c=295 K), confirming stabilization of the HS state. The transition is complete and takes place in two steps for 1.fur, while 1.pyr and 1.thio show 50% spin transition. For 1.fur the transformation between the HS and IS (mi…