Antagonism between extreme negative linear compression and spin crossover in [Fe(dpp)(2)(NCS)(2)]⋅py

Angew Chem Int Ed Engl. 2012 Apr 16;51(16):3910-4. doi: 10.1002/anie.201108919. Epub 2012 Mar 8.

Abstract

A scissor-like geometric mechanism is responsible for the strongest negative linear compression effect yet observed in a molecular material, [Fe(dpp)(2)(NCS)(2)]⋅py (see picture; dpp=dipyrido[3,2-a:2'3'-c]phenazine), C gray, N blue, S yellow, Fe red). The same mechanism is also responsible for suppressing the high-spin to low-spin transition under pressure.