Electronic structures of nitridometalates: molecular and extended-chain ions

abstract

• The unique structures of newly synthesized transition metal nitrides call for a description of their electronic structures that enables us to understand these compounds' bonding and properties. The compounds BaNiN, 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 1[(FeN3/2)25] chains through the condensation of [Fe2N4]8dimers. The local description aids in understanding the role of metal-metal interactions in these systems. Using the results of this analysis, spin states and conductive properties of these novel compounds are discussed. 1993, American Chemical Society. All rights reserved.

authors

• Hughbanks, Timothy

published proceedings

• Inorganic Chemistry

author list (cited authors)

• Green, M. T., & Hughbanks, T.

citation count

• 13

complete list of authors

• Green, Michael T||Hughbanks, Timothy

publication date

• January 1993

publisher

• American Chemical Society (ACS)  Publisher

published in

• Inorganic Chemistry  Journal

Digital Object Identifier (DOI)

• 10.1021/ic00076a031

start page

• 5611

end page

• 5615

volume

• 32

issue

• 24

URL

• http%3A%2F%2Fdx.doi.org%2F10.1021%2Fic00076a031