Unexpected "amphoteric" character of the halogen bond: the charge density study of the co-crystal of N-methylpyrazine iodide with I2.
An unexpected mechanism of halogen bonding that cannot be rationalized within the accepted sigma-hole model was found in the co-crystal of N-methylpyrazine iodide with molecular iodine via the topological analysis of the electron density distribution derived from the high-resolution X-ray diffraction data.
Nelyubina
Yulia V
YV
A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Vavilov Str., 28, Moscow, 119991, Russia.
Antipin
Mikhail Yu
MY
Dunin
Dmitriy S
DS
Kotov
Vitalii Yu
VY
Lyssenko
Konstantin A
KA