1744-45-2Relevant articles and documents
Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals
Yamada, Shigeyuki,Morita, Masato,Agou, Tomohiro,Kubota, Toshio,Ichikawa, Takahiro,Konno, Tsutomu
supporting information, p. 5609 - 5617 (2018/08/17)
We developed and characterized four polyfluorinated bistolane derivatives. These compounds, which possess either two alkoxy substituents or an alkoxy group and a bromine atom in their two molecular terminals, were synthesized from readily available 4-alko
Thermodynamics of halogen bonding in solution: Substituent, structural, and solvent effects
Sarwar, Mohammed G.,Dragisic, Bojan,Salsberg, Lee J.,Gouliaras, Christina,Taylor, Mark S.
supporting information; scheme or table, p. 1646 - 1653 (2010/04/04)
A detailed study of the thermodynamics of the halogen-bonding interaction in organic solution is presented. 19F NMR titrations are used to determine association constants for the interactions of a variety of Lewis bases with fluorinated iodoalkanes and iodoarenes. Linear free energy relationships for the halogen bond donor ability of substituted iodoperfluoroarenes XC 6F4I are described, demonstrating that both substituent constants (σ) and calculated molecular electrostatic potential surfaces are useful for constructing such relationships. An electrostatic model is, however, limited in its ability to provide correlation with a more comprehensive data set in which both halogen bond donor and acceptor abilities are varied: the ability of computationally derived binding energies to accurately model such data is elucidated. Solvent effects also reveal limitations of a purely electrostatic depiction of halogen bonding and point to important differences between halogen bonding and hydrogen bonding.
C-I STRETCHING VIBRATIONS IN IODOBENZENES
Fugaeva, O.M.,Korobeinicheva, I.K.,Bardin, V.V.
, p. 2309 - 2311 (2007/10/02)
Comparison of the calculated and experimental IR and Raman spectra of a series of iodobenzenes showed that the C-I stretching vibrations for these compounds correspond to a very highly polarized Raman band 150 - 270 cm-1 (ρ = 0.1).The position of this band depends on the mass of the para substituent and relative position of the fluorine and iodine atoms in the molecule.The UV absorption spectral data indicate an interaction of the iodine atom and para substituents through the ?-system.Opposite substituent effects on the change in intensity of the B-band in the UV spectra of iodobenzenes and tetrafluoroiodobenzenes were noted.