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Calculation of the Dipole Moments for Transition Metal Complexes
Golding, R. M.,Ahn, Sang-Woon Korean Chemical Society 1981 Bulletin of the Korean Chemical Society Vol.2 No.2
A new approach in calculating the dipole moments for transition metal complexes has been proposed and the calculated results are tabulated with the experimental values. The calculated dipole moments are applied to the theoretical prediction or confirmation of the geometric structure for the transition metal complexes.
An NMR Study of Solvent Interactions in a Paramagnetic System
Golding, R.M.,Pascual, R.O.,Suvanprakorn, C.,Dance, I.G. Korean Chemical Society 2006 Bulletin of the Korean Chemical Society Vol.27 No.11
This study explores and interprets in a new way the complex solvent and the temperature dependence of the NMR shifts for the N-$CH_2$ protons in tris(N,N-diethyldithiocarbamato) iron(III) in acetone, benzene, carbon disulfide, chloroform, dimethylformamide and pyridine. The NMR shifts are interpreted in terms of the Fermi contact interaction and the dipolar term from the multipole expansion of the interaction of the electron orbital angular momentum and the electron spin dipolar-nuclear spin angular momentum. This analysis yields a direct measure of the effect of the solvent system on the environment of the transition metal ion. The results are analysed in terms of the crystal field environment of the transition metal ion with contributions from (a) the dithiocarbamate ligand (b) the solvent molecules and (c) the interaction of the effective dipole moment of the polar solvent molecule with the transition metal ion complex.
Identification of Capsicum species using SNP markers based on high resolution melting analysis
Golding, Brian,Jeong, Hee-Jin,Jo, Yeong Deuk,Park, Soung-Woo,Kang, Byoung-Cheorl Canadian Science Publishing 2010 Genome Vol.53 No.12
<P> Single nucleotide polymorphisms (SNPs) derived from both nuclear and cytoplasmic DNA sequences were developed to identify distinct species of Capsicum . Species identification was achieved by detecting allelic variations of these type of markers via high resolution melting analysis (HRM). We used the HRM polymorphisms of COSII markers and the Waxy gene from the nuclear sequence, in addition to the intergenic spacer between trnL and trnF from cytoplasmic DNA as our SNP markers. A total of 31 accessions of Capsicum, representing six species, were analyzed using this method. As single markers were insufficient for identifying Capsicum species, combinations of all markers unambiguously identified all six. A phylogeny based on the SNP markers was consistent with the current taxonomy of Capsicum species. These observations demonstrate that the markers developed in this study are useful for rapid identification of new germplasm for management of Capsicum species. </P>
Golding, Brian,Acutis, Pier Luigi,Peletto, Simone,Grego, Elena,Colussi, Silvia,Riina, Maria Vittoria,Rosati, Sergio,Mignone, Walter,Caramelli, Maria Canadian Science Publishing 2008 Genome Vol.51 No.12
<P> A reminder that another paper on the cetacean PRNP locus has been published before Kim et al.’s paper (2008. Genome, 51: 452-464) is presented along with a consideration of the related results. </P>
Acoustic phonon lifetimes limit thermal transport in methylammonium lead iodide
Gold-Parker, Aryeh,Gehring, Peter M.,Skelton, Jonathan M.,Smith, Ian C.,Parshall, Dan,Frost, Jarvist M.,Karunadasa, Hemamala I.,Walsh, Aron,Toney, Michael F. National Academy of Sciences 2018 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF Vol.115 No.47
<▼1><P><B>Significance</B></P><P>Hybrid organic–inorganic perovskites are a promising class of materials for efficient and low-cost solar cells. Unlike conventional inorganic semiconductors such as silicon and gallium arsenide, hybrid perovskites feature significant dynamic disorder in their crystal structure. This dynamic disorder can be broadly classified into lattice vibrations (phonons) and molecular rotations. Phonons interact with charge carriers through electron–phonon coupling, which has substantial impacts on the operation of solar cells. Our study shows that acoustic phonons, the type responsible for transmitting heat in conventional semiconductors, have extraordinarily short lifetimes in the archetypal hybrid perovskite methylammonium lead iodide. These short lifetimes have direct implications on the cooling and transport of electrons and reflect a key difference between hybrid perovskites and conventional photovoltaic semiconductors.</P></▼1><▼2><P>Hybrid organic–inorganic perovskites (HOIPs) have become an important class of semiconductors for solar cells and other optoelectronic applications. Electron–phonon coupling plays a critical role in all optoelectronic devices, and although the lattice dynamics and phonon frequencies of HOIPs have been well studied, little attention has been given to phonon lifetimes. We report high-precision momentum-resolved measurements of acoustic phonon lifetimes in the hybrid perovskite methylammonium lead iodide (MAPI), using inelastic neutron spectroscopy to provide high-energy resolution and fully deuterated single crystals to reduce incoherent scattering from hydrogen. Our measurements reveal extremely short lifetimes on the order of picoseconds, corresponding to nanometer mean free paths and demonstrating that acoustic phonons are unable to dissipate heat efficiently. Lattice-dynamics calculations using ab initio third-order perturbation theory indicate that the short lifetimes stem from strong three-phonon interactions and a high density of low-energy optical phonon modes related to the degrees of freedom of the organic cation. Such short lifetimes have significant implications for electron–phonon coupling in MAPI and other HOIPs, with direct impacts on optoelectronic devices both in the cooling of hot carriers and in the transport and recombination of band edge carriers. These findings illustrate a fundamental difference between HOIPs and conventional photovoltaic semiconductors and demonstrate the importance of understanding lattice dynamics in the effort to develop metal halide perovskite optoelectronic devices.</P></▼2>