105454-00-0Relevant articles and documents
Bonding trends in (NSF)3 at high-pressures
Chizmeshya, A. V. G.,Coffman, P.,Robinson, S.,Petuskey, W. T.,Wolf, G. H.,McMillan, P. F.
, (2008/10/08)
We report the results of a combined experimental and theoretical study into the high pressure behavior of crystalline trimerized thiazyl fluoride (NSF)3. The crystal exhibits a reversible pressure induced structural change at 80 kbar which is accompanied by a visible change in its color from translucent and yelowish at ambient pressure to black at high pressure. To explore the nature of bonding changes in this regime we performed semi-empirical SCF cluster calculations. Systematic examination of plausible intermolecular bonding configurations suggests that polymerization of the trimers into planar sheets or chains could account for the observed optical properties.