Anion-anion assembly in crystal of sodium nitroprusside.
The experimental charge density in the crystal of disodium pentacyanonitrosoferrate (sodium nitroprusside) dihydrate was analyzed in detail by means of Bader's atoms in molecules theory. It was shown that nitroprusside anion is involved in relatively strong self-interactions through the nitroso group. The obtained results agree well with the spectroscopic data, indicating the tendency of the corresponding moiety to the formation of anion-anion association both in solutions and in the crystalline phase.
Nelyubina
Yulia V
YV
A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 119991, Vavilov Str., 28, Moscow, Russia.
Lyssenko
Konstantin A
KA
Kotov
Vitalii Yu
VY
Antipin
Mikhail Yu
MY
D000838:Anions / Q000737:chemistry; D001665:Binding Sites; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D008956:Models, Chemical; D008958:Models, Molecular; D009599:Nitroprusside / Q000737:chemistry*; D011789:Quantum Theory
D000838:Anions; D009599:Nitroprusside