Mt. Green et T. Hughbanks, ELECTRONIC-STRUCTURES OF NITRIDOMETALATES - MOLECULAR AND EXTENDED-CHAIN IONS, Inorganic chemistry, 32(24), 1993, pp. 5611-5615
The unique structures of newly synthesized transition metal nitrides c
all for a description of their electronic structures that enables us t
o understand these compounds' bonding and properties. The compounds Ba
NiN, M2Li[Fe2N3] (M = Sr, Ba), and M2[FeN2] (M = Ca, Sr) are examined
through a local analysis of their band structure. The role of kinks in
BaNiN is also studied as is the construction of 1infinity[(FeN3/2)25-
] chains through the condensation of [Fe2N4]8- dimers. The local descr
iption aids in understanding the role of metal-metal interactions in t
hese systems. Using the results of this analysis, spin states and cond
uctive properties of these novel compounds are discussed.