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Regulating Noncovalent Interactions in Amino‐Amide–Copper Complexes
Author(s) -
LechugaIslas Víctor,
Tlahuext Hugo,
FalcónLeón Martha P.,
SánchezDe Jesús Félix,
MooPuc Rosa E.,
ChaleDzul Juan B.,
TapiaBenavides Antonio R.,
Tlahuextl Margarita
Publication year - 2018
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.201701332
Subject(s) - chemistry , non covalent interactions , natural bond orbital , intermolecular force , supramolecular chemistry , hydrogen bond , copper , amide , atoms in molecules , crystallography , molecule , ferromagnetism , computational chemistry , stereochemistry , density functional theory , organic chemistry , crystal structure , physics , quantum mechanics
The relevance of intermolecular noncovalent Cl ··· Cu interactions in the magnetic and biological behavior of copper complexes derived from amino amides is studied. Crystallography studies show that these complexes tend to stack, favoring noncovalent interactions (hydrogen bonding and Cu ··· Cl). However, the presence of substituents at the C10 and C13 positions regulates the supramolecular structures in 2 . Thus, magnetic studies at 93, 293, and 353 K demonstrate that magnetic exchange is favored only by Cu–Cl ··· Cu interactions. Moreover, biological studies show that only those copper complexes with ferromagnetic behavior present cytotoxic activity. Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) computations are used to corroborate the presence of the noncovalent interactions.