• Journal of the Korean Magnetic Resonance Society
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• v.8 no.2
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• pp.108-114
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• 2004

Recently a new method for magnetic resonance imaging based on the detection of relatively strong signal from intermolecular multiple quantum coherences (iMQCs) is reported. Such a signal would not be observable in the conventional framework of magnetic resonance; it originates in long-range dipolar couplings that are traditionally ignored. In this paper, we present the results of experimental studies to assess the feasibility of intermolecular double quantum coherences (iDQCs) imaging in humans. We show that the iDQC images are readily observable at 4T and that they do indeed provide different contrast than appears in conventional images.

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2247-2254
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• 2010

The surface structures of copper phthalocyanine (CuPc) thin films deposited on sulphur-passivated and plane perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA)-covered InAs(100) surfaces have been studied by low energy electron diffraction (LEED) and van der Waals (vdW) intermolecular interaction energy calculations. The annealing to $300^{\circ}C$ and $450^{\circ}C$ of $(NH_4)_2S_x$-treated InAs(100) substrates produces a ($1{\times}1$) and ($2{\times}1$) S-passivated surface respectively. The CuPc deposition onto the PTCDA-covered InAs(100) surface leads to a ring-like diffraction pattern, indicating that the 2D ordered overlayer exists and the structure is dominantly determined by the intermolecular interactions rather than substrate-molecule interactions. However, no ordered LEED patterns were observed for the CuPc on S-passivated InAs(100) surface. The intermolecular interaction energy calculations have been carried out to rationalise this structural difference. In the case of CuPc unit cells on PTCDA layer, the planar layered CuPc structure is more stable than the $\alpha$-herringbone structure, consistent with the experimental LEED results. For CuPc unit cells on a S-($1{\times}1$) layer, however, the $\alpha$-herringbone structure is more stable than the planar layered structure, consistent with the absence of diffraction pattern. The results show that the lattice structure during the initial stages of thin film growth is influenced strongly by the intermolecular interactions at the interface.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.25 no.7
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• pp.500-505
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• 2012

In this study, the influence of the intermolecular distance on the charge mobility in a pentacene thin-film was investigated. In order to increase the mobility which depends on the ${\pi}$-overlap between molecules, the intermolecular distance was shortened by compressive force along the conduction channel. Pentacene thin-film was fabricated on flexible substrates bent outward at different radii to stretch the gate dielectric surface and then the substrates were unbent, producing the compressive force to the film. The result showed that the mobility increased proportionally to the strain applied during the pentacene deposition and the molecular packing inside a grain was not optimal for the charge transport.

• Proceeding of EDISON Challenge
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• 2016.03a
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• pp.140-146
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• 2016

Using density functional Theory, we studied local structure of liquid ethylene glycol and 1,3-propanediol. For both liquid, making intramolecular hydrogen bonding is not preferred, because relative energy between with and without intramolecular hydrogen bond is only -1.95kcal/mol, which is far less than intermolecular hydrogen bonding energy, about -7.5kcal/mol. Also, hydrogen bond induce polarization of hydroxyl group and make $2^{nd}$ hydrogen bond more stronger. This effect was small in intramolecular hydrogen bond of ethylene glycol. When considering energy per hydrogen bond, making only one intermolecular hydrogen bond for ethylene glycol pair is energetically favored, while two intermolecular hydrogen bond can be formed in 1,3-propanediol pair.

• Bulletin of the Korean Chemical Society
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• v.31 no.9
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• pp.2717-2720
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• 2010

• Bulletin of the Korean Chemical Society
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• v.23 no.4
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• pp.633-636
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• 2002

• Bulletin of the Korean Chemical Society
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• v.30 no.11
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• pp.2595-2602
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• 2009

Hexamer cluster of N,N-dimethylformamide(DMF) based on the crystal structure was investigated for the equilibrium structure, the stabilization energies, and the vibrational properties in the density functional force field. The geometry (point group $C_i$) of fully optimized hexamer clustered DMF shows quite close similarity to the crystal structure weakly intermolecular hydrogen bonded each other. Stretching force constants for intermolecular hydrogen bonded methyl and formyl hydrogen atoms with nearby oxygen atom, methyl C–H${\cdots}$O and formyl C–H${\cdots}$O, were obtained in 0.055 $\sim$ 0.11 and $\sim$ 0.081 mdyn/$\AA$, respectively. In-plane bending force constants for hydrogen bonded methyl hydrogen atoms were in 0.25 $\sim$ 0.33, and for formyl hydrogen $\sim$ 0.55 mdynÅ. Torsion force constants through hydrogen bonding for methyl hydrogen atoms were in 0.038 $\sim$ 0.089, and for formyl hydrogen atom $\sim$ 0.095 mdynÅ. Calculated Raman and infrared spectral features of single and hexamer cluster represent well the experimental spectra of DMF obtained in the liquid state. Noncoincidence between IR and Raman frequency positions of stretching C=O, formyl C–H and other several modes was interpreted in terms of the intermolecular vibrational coupling in the condensed phase.

• Bulletin of the Korean Chemical Society
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• v.33 no.8
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• pp.2773-2776
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• 2012

• Archives of Pharmacal Research
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• v.9 no.1
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• pp.19-20
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• 1986

Reaction of dine alcohol 5 and maleic anhydride in benzene at either room temperature or reflux proceeds probably through a intermolecular Diels-Alder cycloaddition followed by lactone formation to give adduct 6.

• Archives of Pharmacal Research
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• v.15 no.4
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• pp.374-375
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• 1992

The marine sterol (22R, 23R)-methylenecholesterol 1 has been synthesized from readily available C-22 steroidal ester 2 utilizing an intermolecular acyclic ester enolate alkylation as the key step.