Methyl and t-butyl reorientation in an organic molecular solid

We have determined the molecular and crystal structure of 4,5-dibromo-2,7-di-t-butyl-9,9-dimethylxanthene and measured the 1H spin–lattice relaxation rate from 87 to 270 K at NMR frequencies of ω/2π=8.50, 22.5, and 53.0 MHz. All molecules in the crystal see the same intra and intermolecular environment and the repeating unit is half a molecule. We have extended models developed for 1H spin–lattice relaxation resulting from the reorientation of a t-butyl group and its constituent methyl groups to include these rotors and the 9-methyl groups. The relaxation rate data is well-fitted assuming that the t-butyl groups and all three of their constituent methyl groups, as well as the 9-methyl groups all reorient with an NMR activation energy of 15.8±1.6 kJ mol−1 corresponding to a barrier of 17.4±3.2 kJ mol−1. Only intramethyl and intra-t-butyl intermethyl spin–spin interactions need be considered. A unique random-motion Debye (or BPP) spectral density will not fit the data for any reasonable choice of parameters. A distribution of activation energies is required

Methyl and t-butyl reorientation in an organic molecular solid

We have determined the molecular and crystal structure of 4,5-dibromo-2,7-di-t-butyl-9,9-dimethylxanthene and measured the 1H spin–lattice relaxation rate from 87 to 270 K at NMR frequencies of ω/2π=8.50, 22.5, and 53.0 MHz. All molecules in the crystal see the same intra and intermolecular environment and the repeating unit is half a molecule. We have extended models developed for 1H spin–lattice relaxation resulting from the reorientation of a t-butyl group and its constituent methyl groups to include these rotors and the 9-methyl groups. The relaxation rate data is well-fitted assuming that the t-butyl groups and all three of their constituent methyl groups, as well as the 9-methyl groups all reorient with an NMR activation energy of 15.8±1.6 kJ mol−1 corresponding to a barrier of 17.4±3.2 kJ mol−1. Only intramethyl and intra-t-butyl intermethyl spin–spin interactions need be considered. A unique random-motion Debye (or BPP) spectral density will not fit the data for any reasonable choice of parameters. A distribution of activation energies is required

Nonexponential Solid State 1H and 19F Spin–Lattice Relaxation, Single-crystal X-ray Diffraction, and Isolated-Molecule and Cluster Electronic Structure Calculations in an Organic Solid: Coupled Methyl Group Rotation and Methoxy Group Libration in 4,4′-Dimethoxyoctafluorobiphenyl

We investigate the relationship between intramolecular rotational dynamics and molecular and crystal structure in 4,4′-dimethoxyoctafluorobiphenyl. The techniques are electronic structure calculations, X-ray diffractometry, and 1H and 19F solid state nuclear magnetic resonance relaxation. We compute and measure barriers for coupled methyl group rotation and methoxy group libration. We compare the structure and the structure-motion relationship in 4,4′-dimethoxyoctafluorobiphenyl with the structure and the structure-motion relationship in related compounds in order to observe trends concerning the competition between intramolecular and intermolecular interactions. The 1H spin–lattice relaxation is nonexponential in both the high-temperature short-correlation time limit and in the low-temperature long-correlation time limit, albeit for different reasons. The 19F spin–lattice relaxation is nonexponential at low temperatures and it is exponential at high temperatures

Water Quality Improvement by Physical and Chemical Processes

Center for Water and the Environmen

The auroral footprint of Enceladus on Saturn

Although there are substantial differences between the magnetospheres of Jupiter and Saturn, it has been suggested that cryovolcanic activity at Enceladus(1-9) could lead to electrodynamic coupling between Enceladus and Saturn like that which links Jupiter with Io, Europa and Ganymede. Powerful field-aligned electron beams associated with the Io-Jupiter coupling, for example, create an auroral footprint in Jupiter's ionosphere(10,11). Auroral ultraviolet emission associated with Enceladus-Saturn coupling is anticipated to be just a few tenths of a kilorayleigh (ref. 12), about an order of magnitude dimmer than Io's footprint and below the observable threshold, consistent with its non-detection(13). Here we report the detection of magnetic-field-aligned ion and electron beams (offset several moon radii downstream from Enceladus) with sufficient power to stimulate detectable aurora, and the subsequent discovery of Enceladus-associated aurora in a few per cent of the scans of the moon's footprint. The footprint varies in emission magnitude more than can plausibly be explained by changes in magnetospheric parameters-and as such is probably indicative of variable plume activity

Journal. Rno Microelectronic Engineering 1987

The papers which follow summarize the results of researchperformed by the graduating seniors from the MicroelectronicEngineering Program at the Rochester Institute of Technology (RIT).In their final quarter (ten weeks) of study, the students submit aproposal for a research topic covering the relevance of theirproject to both the Microelectronics field and the Engineeringprogram at RIT, as well as a tentative timetable and budget. Aftera faculty critique, the project is either accepted as proposed orrevised. Thereafter, the student executes the researchindependently over the course of the quarter. The students meetweekly with the course coordinator to monitor progress, obtainsupplies, and revise the experiment as results develop. In additionto the research, their results are presented orally at the AnnualMicroelectronic Engineering Conference and in written form in thisjournal . The student is free (and encouraged) to seek the guidanceof other faculty members, both in and outside the MicroelectronicEngineering Faculty, researchers at other institutes, or industrialcolleagues.https://scholarworks.rit.edu/meec_archive/1001/thumbnail.jp

Synthesis, Characterization and Crystal Structure of Zn(II) and Cd(II) One- and Two-Dimensional Coordination Polymers Derived from Pyridine Based Schiff Base ligand

Four coordination polymers with the formulas [Zn(L)(NO3)]n (1), {[Zn(L)(NO2)]·CH3OH}n (2), [Cd(L)(NO2)]n (3) and [Cd(L)(NO3)]n (4) {HL=2-benzolypyridine-isonicotinoylhydrazone (HBPIH)} have been synthesized and characterized by elemental analyses, FT-IR spectroscopy, 1H and 13C NMR and single crystal X-ray data diffraction. The L ligand acts as a negatively charged tetradentae N3O-donor in 1–3 and pentadentate ligand in 4. The Schiff base ligand coordinates to a metal center as N2O-donor and coordinates to adjacent metal center via its Para-Nitrogen of pyridlyl group in 1–3 leading to formation of one-dimensional, 1D, coordination polymer. The oxygen atom of the ligand L also coordinates to the third metal center as a bridging atom in 4 and forms a two-dimensional, 2D, coordination polymer. Metal centers are six coordinated with distorted octahedral geometry in 1–3 and seven coordinated with pentagonal bipyramid geometry in 4. The nitrate and nitrite groups act as asymmetric bidentate ligands in all complexes.We are grateful to the University of Tabriz for the generous financial support of this research. Single crystal X-ray diffraction experiments were performed at Villanova University and Cardinal Stefan Wyszynski University in Warsaw and Universidad de Oviedo.Peer reviewe