نتایج جستجو برای: halogen π

تعداد نتایج: 37828  

Journal: :npj flexible electronics 2021

Abstract Ultralong organic phosphorescence (UOP) crystals have attracted increased attention due to the distinct photophysical property of a long-lived lifetime. However, are generally brittle, leading serious problem for their application in flexible technology. Herein, we report three types elastic (EOCs) with ultralong via introducing halogen atoms (Cl, Br, I) into π-conjugated phosphorescen...

Journal: :Crystals 2021

A series of 4,5-dibromo-2-(4-substituted phenyl)hexahydro-3a,6-epoxyisoindol-1(4H)-ones were synthesized by reaction the corresponding 2-(4-substituted phenyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-ones with [(Me2NCOMe)2H]Br3 in dry chloroform under reflux for 3−5 h. In contrast to 4-F and 4-Cl substituents, one bromine atoms isoindole moiety behaves as a halogen bond donor formation int...

Journal: :physical chemistry research 2016
ali ebrahimi hafez razmazma hojat samareh delarami

the effects of substituents on the symmetry and the nature of halogen bonds in [n∙∙∙x∙∙∙n]+-type systems are presented for the yc5h4n∙∙∙x∙∙∙nc5h5 (y = no2, cn, h, ch3, och3, oh, nh2, x = cl, br, i) complexes. some structural parameters, energy data and electronic properties were explored with the density functional theory (dft) calculations. in addition, electrostatic potentials were used in es...

Journal: :iranian journal of chemistry and chemical engineering (ijcce) 2011
hossein aghabozorg najmeh firoozi leila roshan masoud mirzaei ardeshir shokrollahi

in the crystal structure of the title polymeric compound, [c42h38n6o33sr5.2(h2o)]n, five independent metal atoms (sr1-sr5) have different coordination environments. the sr1 and sr5 atoms are nine coordinated and feature distorted tricapped trigonal-prismatic and capped square-antiprismatic geometries, respectively. the rest srii atoms have eight coordination numbers. these units are connected v...

2011
Yan-Hui Liu Lin Xu Dong-Mei Dai Jian-Wei Zou

In the crystal structure of the title compound, [ZnCl(2)(C(5)H(4)ClN)(2)], discrete complex mol-ecules are found in which the Zn(II) cations are coordinated by two chloride anions and the N atoms of the two 3-chloro-pyridine ligands within a slightly distorted tetra-hedron. Moreover, inter-molecular C-Cl⋯Cl-C halogen inter-actions (Cl⋯Cl = 3.442 Å) are found between the building blocks.

2013
Paul Kuhlich Franziska Emmerling Werner Kraus Irene Nehls Christian Piechotta

The title compound, C18H25BrO, crystallized as a racemate with four independent mol-ecules in the asymmetric unit. In the crystal, three of these four mol-ecules are linked via C-Br⋯Br-C halogen bonds [Br⋯Br = 3.662 (2) and 3.652 (2) Å], forming dimers.

Journal: :journal of physical & theoretical chemistry 2015
pouya karimi

stability of the π-π stacking interactions in the ben||substituted-coronene and hfben||substituted-coronene complexes was studied using the computational quantum chemistry methods (where ben and hfben are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four x groups, and x= nh2, ch3, oh, h, f, cf3, cn and no). ...

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