A novel copper(I) sulfamate π-complex based on the 5-(allylthio)-1-(3,5-dimethylphenyl)-1H-tetrazole ligand: alternating-current electrochemical crystallization, DFT calculations, structural and NLO properties studies.
PBN-AR
Instytucja
Wydział Chemii (Uniwersytet Wrocławski)
Informacje podstawowe
Główny język publikacji
en
Czasopismo
Polyhedron (30pkt w roku publikacji)
ISSN
0277-5387
EISSN
1873-3719
Wydawca
Elsevier
Rok publikacji
2018
Numer zeszytu
Strony od-do
86-93
Numer tomu
147
Identyfikator DOI
Liczba arkuszy
Autorzy
(liczba autorów: 6)
Pozostali autorzy
+ 5
Słowa kluczowe
en
Tetrazole
Copper(I) complexes
crystal structure
ac-Electrochemical technique
NLD properties
Streszczenia
Język
en
Treść
Using the alternating-current electrochemical technique, the novel π-complex [CuI(m-dmphast)NH2SO3] (1), based on the 5-(allylthio)-1-(3,5-dimethylphenyl)-1H-tetrazole (m-dmphast) ligand, was obtained and it was studied by single crystal X-ray diffraction as well as IR and UV–Vis spectroscopy. The structure 1 should be considered as the first known example of a metal sulfamate coordination compound with a tetrazole ligand. The copper(I) ion in 1 possesses a trigonal pyramidal environment, arranged from the N4 atom of the tetrazole core, the CC bond from the S-allyl group of the same m-dmphast ligand and O and N atoms of the NH2SO3− anions. The sulfamate anion is coordinated to the two neighboring Cu(I) ions in a bridged mode, occupying a basal plane (through the N atom) and an apical (through an O atom) position of the two neighboring metal trigonal pyramids. The bicolor coherent photoinduced treatment by a nanosecond Nd:YAG laser at a wavelength of 1064 nm caused the occurrence of charge density acentricity, which in turn favours an occurrence of second harmonic generation described by third rank polar tensors, that are usually forbidden for centrosymmerical crystals.
Cechy publikacji
original-article
Inne
System-identifier
2018CH8456
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