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Li 4 E 8 (E = P, As, Sb, Bi) Clusters: The Quest for Realgar‐Type [E 8 ] 4– Zintl Anions
Author(s) -
Nizovtsev Anton S.,
Ivanov Alexander S.,
Boldyrev Alexander I.,
Konchenko Sergey N.
Publication year - 2015
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201500931
Subject(s) - chemistry , realgar , crystallography , stoichiometry , ion , antimony , inorganic chemistry , mineralogy , organic chemistry
A systematic computational study focused on searching for the global minima and low‐lying isomers of the Li 4 E 8 (E = P, As, Sb, Bi) series of clusters is reported. The global‐minimum structures of Li 4 P 8 , Li 4 As 8 , and Li 4 Sb 8 as well as one of the lowest‐lying Li 4 Bi 8 isomers were found to contain a realgar‐type [E 8 ] 4– unit, which is a rare Zintl anion. Increased stability of this skeleton allows its presence to be expected in more complex chemical compounds containing group 15 elements with appropriate stoichiometry.