Research output: Contribution to journal › Article › peer-review
Niobium and Tantalum Halocyanide Clusters: The Complete Family. / Shamshurin, Maxim; Gushchin, Artem; Adonin, Sergey et al.
In: Inorganic Chemistry, Vol. 61, No. 42, 24.10.2022, p. 16586-16595.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Niobium and Tantalum Halocyanide Clusters: The Complete Family
AU - Shamshurin, Maxim
AU - Gushchin, Artem
AU - Adonin, Sergey
AU - Benassi, Enrico
AU - Sokolov, Maxim
N1 - Funding Information: The work has been supported by the Russian Foundation for Basic Research (no. 20-33-90010). The analytical research was supported by the Ministry of Science and Higher Education of the Russian Federation, no. 121031700313-8. Publisher Copyright: © 2022 American Chemical Society.
PY - 2022/10/24
Y1 - 2022/10/24
N2 - Synthetic procedures providing straightforward access to the whole family of Nb and Ta halide clusters with terminal cyanide ligands have been developed. Corresponding [M6X12(CN)12]4- (M = Nb, Ta; X = Cl, Br) can be accessed by ligand-exchange procedures from K4Nb6X18 (X = Cl, Br) and Bu4NCN, (Et4N)2[Ta6Cl18] and Bu4NCN and from [Ta6Br12(H2O)4Br2]·4H2O and KCN in moderate to high yields (50-80%). The products were isolated as Bu4N salts. The compounds were investigated both experimentally and by quantum chemistry, revealing correlations between structural, electrochemical, electrostatic, electronic, and topological features as a function of type of metal, halide, and charge.
AB - Synthetic procedures providing straightforward access to the whole family of Nb and Ta halide clusters with terminal cyanide ligands have been developed. Corresponding [M6X12(CN)12]4- (M = Nb, Ta; X = Cl, Br) can be accessed by ligand-exchange procedures from K4Nb6X18 (X = Cl, Br) and Bu4NCN, (Et4N)2[Ta6Cl18] and Bu4NCN and from [Ta6Br12(H2O)4Br2]·4H2O and KCN in moderate to high yields (50-80%). The products were isolated as Bu4N salts. The compounds were investigated both experimentally and by quantum chemistry, revealing correlations between structural, electrochemical, electrostatic, electronic, and topological features as a function of type of metal, halide, and charge.
UR - http://www.scopus.com/inward/record.url?scp=85139235831&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.2c01824
DO - 10.1021/acs.inorgchem.2c01824
M3 - Article
C2 - 36162107
AN - SCOPUS:85139235831
VL - 61
SP - 16586
EP - 16595
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 42
ER -
ID: 38159325