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Alexandria N. Bone Chelsea N. Widener Duncan H. Moseley Zhiming Liu Zhengguang Lu Dr. Yongqiang Cheng Dr. Luke L. Daemen Dr. Mykhaylo Ozerov Prof. Joshua Telser Prof. Komalavalli Thirunavukkuarasu Dr. Dmitry Smirnov Samuel M. Greer Prof. Stephen Hill Dr. J. Krzystek Dr. Karsten Holldack Azar Aliabadi Dr. Alexander Schnegg Prof. Kim R. Dunbar Prof. Zi-Ling Xue 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(43):11110-11125
Large separation of magnetic levels and slow relaxation in metal complexes are desirable properties of single-molecule magnets (SMMs). Spin-phonon coupling (interactions of magnetic levels with phonons) is ubiquitous, leading to magnetic relaxation and loss of memory in SMMs and quantum coherence in qubits. Direct observation of magnetic transitions and spin-phonon coupling in molecules is challenging. We have found that far-IR magnetic spectra (FIRMS) of Co(PPh3)2X2 ( Co-X ; X=Cl, Br, I) reveal rarely observed spin-phonon coupling as avoided crossings between magnetic and u-symmetry phonon transitions. Inelastic neutron scattering (INS) gives phonon spectra. Calculations using VASP and phonopy programs gave phonon symmetries and movies. Magnetic transitions among zero-field split (ZFS) levels of the S=3/2 electronic ground state were probed by INS, high-frequency and -field EPR (HFEPR), FIRMS, and frequency-domain FT terahertz EPR (FD-FT THz-EPR), giving magnetic excitation spectra and determining ZFS parameters (D, E) and g values. Ligand-field theory (LFT) was used to analyze earlier electronic absorption spectra and give calculated ZFS parameters matching those from the experiments. DFT calculations also gave spin densities in Co-X , showing that the larger Co(II) spin density in a molecule, the larger its ZFS magnitude. The current work reveals dynamics of magnetic and phonon excitations in SMMs. Studies of such couplings in the future would help to understand how spin-phonon coupling may lead to magnetic relaxation and develop guidance to control such coupling. 相似文献
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Lawrence L. Griffin Katherine Holden Charles E. Hudson David J. McAdoo 《Journal of mass spectrometry : JMS》1986,21(4):175-182
The isomerizations preceding the metastable decompositions in the mass spectrometer of a number of [C6H12O]+˙ ions with the oxygen on the third carbon are characterized utilizing deuterium labeling. Hydrogens are transferred in these ions by three-, five- and six-membered ring rearrangements, with propensities determined by features of the individual reactions. Three-membered ring hydrogen transfers between α and β-carbons are preferred to all five-membered ring hydrogen transfers. However, six-membered ring hydrogen transfers take place to the apparent exclusion of three-membered ring hydrogen transfers to enol carbons when the products are of comparable stability. The low-energy [C6H12O]+˙ isomerizations characterized are predictable from the behavior of their lower homologs. It is concluded that the determinants of these reactions are the same as those of other highly reactive organic intermediates. 相似文献
147.
A series of acrylate monomers with alkoxy tails of varying lengths are synthesised and polymerised. The butoxy analogue had a stable enantiotropic cholesteric liquid crystalline phase which formed a grandjean texture when prepared as a thin film between glass slides. The polymer was mixed with a low molar mass nematic liquid crystal in various proportions and the pitch of the chiral nematic phases were determined using a cano‐wedge cell technique. The polymer prepared from (S)‐2‐(4‐butoxyphenyl‐4′‐benzoyloxy)‐1‐methyl ethyl acrylate had a pitch length of 113 nm which indicates that the polymer film could be employed in optical devices requiring selective reflection of light with short wavelengths in the region of 170 nm. Copyright © 2001 John Wiley & Sons, Ltd. 相似文献
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Joann Huber Robert G.K. Donald Sang Ho Lee Lisa Wang Jarantow Michael J. Salvatore Xin Meng Ronald Painter Russell H. Onishi James Occi Karen Dorso Katherine Young Young Whan Park Stephen Skwish Michael J. Szymonifka Tim S. Waddell Lynn Miesel John W. Phillips Terry Roemer 《Chemistry & biology》2009,16(8):837-848
150.
Kyoung-Keun Lee Zhuhua Cai Katherine Ziemer William Alan Doolittle 《Journal of Crystal Growth》2009,311(16):4001-4006
In this paper, the origin of the conductivity of GaN films grown on ferroelectric materials was investigated using XPS, AES, and XRD analysis tools. Depth profiles confirmed the existence of impurities in the GaN film originating from the substrates. Bonding energy analysis from XPS and AES verified that oxygen impurities from the substrates were the dominant origin of the conductivity of the GaN film. Furthermore, Ga-rich GaN films have a greater chance of enhancing diffusion of lithium oxide from the substrates, resulting in more substrate phase separation and a wider inter-mixed region confirmed by XRD. Therefore, the direct GaN film growth on ferroelectric materials causes impurity diffusion from the substrates, resulting in highly conductive GaN films. Future work needs to develop non-conductive buffer layers for impurity suppression in order to obtain highly resistive GaN films. 相似文献