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ReI6(NH4)2 is Fluorite structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of four ammonium molecules and two hexa-iodo rhenium molecules.
I3(N) crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four jodamin molecules and two I ribbons oriented in the (0, 1, 0) direction. In each I ribbon, there are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent I1- atoms. There are one shorter (2.91 Å) and one longer (2.97 Å) I–I bond lengths. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent I1- atoms.
N2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and two TeI6 clusters. In each TeI6 cluster, Te4+ is bonded in an octahedral geometry to six I1- atoms. There are a spread of Te–I bond distances ranging from 2.93–2.95 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom.
Sb2(NI3)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six I1- atoms to form corner-sharing SbI6 octahedra. The corner-sharing octahedra tilt angles range from 34–38°. There are a spread of Sb–I bond distances ranging from 2.82–3.15 Å. In the second Sb5+ site, Sb5+ is bonded to six I1- atoms to form corner-sharing SbI6 octahedra. The corner-sharing octahedra tilt angles range from 34–37°. There are a spread of Sb–I bond distances ranging from 2.81–3.21 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of N–I bond distances ranging from 3.39–4.00 Å. In the second N+0.33- site, N+0.33- is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of N–I bond distances ranging from 3.50–3.95 Å. In the third N+0.33- site, N+0.33- is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of N–I bond distances ranging from 3.26–3.94 Å. There are nine inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one Sb5+ and three N+0.33- atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one Sb5+ and three N+0.33- atoms. In the third I1- site, I1- is bonded in a 1-coordinate geometry to one Sb5+ and three N+0.33- atoms. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to one Sb5+ and two N+0.33- atoms. In the fifth I1- site, I1- is bonded in a 1-coordinate geometry to one Sb5+ and three N+0.33- atoms. In the sixth I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Sb5+ and three N+0.33- atoms. In the seventh I1- site, I1- is bonded in a 4-coordinate geometry to two Sb5+ and two N+0.33- atoms. In the eighth I1- site, I1- is bonded in a 1-coordinate geometry to one Sb5+ and two N+0.33- atoms. In the ninth I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Sb5+ and three N+0.33- atoms.
PtI6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four PtI6 clusters. In each PtI6 cluster, Pt4+ is bonded in an octahedral geometry to six equivalent I1- atoms. All Pt–I bond lengths are 2.67 Å. I1- is bonded in a single-bond geometry to one Pt4+ atom.
Fluorophores covalently bound to azacrown ether ionophores can be assembled into sensitive turn-on chemosensors. The size specificity and electron-rich nature of the ionophore's binding domain contribute to both selectivity and strong turn-on fluorescence sensing by various mechanisms when properly constructed. Aza-18-crown-6 ethers are quite selective for binding to K + and Ba 2+ , yet the more electron-withdrawing dicationic nature of barium imposes a larger electronic effect on turn-on fluorescent sensors. Barium chemosensors can be important for measuring soluble Ba 2+ in drinking water and have gained recent attention for their potential to enhance the detection of rare events in xenon decay. Here we quantify the capability of three chemosensors, marketed for biologically useful K + sensing, as effective probes for Ba 2+ ions. Here, we present measurements from bulk spectrofluorometry to characterize the system in aqueous solutions and demonstrate the usefulness of these species for low-background single-ion fluorescence microscopy, revealing new candidates for Ba 2+ sensing.
We investigate the performance of Opticks, a NVIDIA OptiX API 7.5 GPU-accelerated photon propagation tool compared with a single-threaded Geant4 simulation. We compare the simulations using an improved model of the NEXT-CRAB-0 gaseous time projection chamber. Performance results suggest that Opticks improves simulation speeds by between 58.47 ± 0.02 and 181.39 ± 0.28 times relative to a CPU-only Geant4 simulation and these results vary between different types of GPU and CPU. A detailed comparison shows that the number of detected photons, along with their times and wavelengths, are in good agreement between Opticks and Geant4.