• 제목/요약/키워드: Intermolecular

검색결과 461건 처리시간 0.035초

The Link Between Stereoselectivity and Spin Selectivity in Intermolecular and Intramolecular Photochemical Reactions

  • Griesbeck, Axel G.
    • Journal of Photoscience
    • /
    • 제10권1호
    • /
    • pp.49-60
    • /
    • 2003
  • How stereo selectivity in singlet and triplet photocycloaddition and photocyclization reactions, respectively, is linked to spin selectivity and how this link affects our understanding of photochemical reaction mechanisms, is described in this review. As illustrative examples, the Paterno-Buchi reaction and the Norrish-Yang cyclization are described with emphasis on triplet biradical structure and dynamics.

  • PDF

Optical study on the morphology of organic molecules in thin solid films

  • Tsuboi, Taiju
    • 한국정보디스플레이학회:학술대회논문집
    • /
    • 한국정보디스플레이학회 2006년도 6th International Meeting on Information Display
    • /
    • pp.577-582
    • /
    • 2006
  • Unlike the case of $Ir(ppy)_3$, various aggregates of PtOEP including dimer are formed in PtOEP-doped films and neat film. Such a difference is due to difference of competition among solid state solvation effect, dipole-dipole interactions between dopant molecules, and intermolecular covalent bonding.

  • PDF

A Simple One-Step Synthesis of Alkylation Product from Cyclic Allylic Alcohol and Resorcinol

  • Baek, Seung-Hwa;Kim, Young-Ok
    • Archives of Pharmacal Research
    • /
    • 제15권4호
    • /
    • pp.304-308
    • /
    • 1992
  • The alkylation of resorcinol with cyclic allylic alcohol in non-aqueous acid medium gives intermolecular Friedel-Craft compounds. The products are primary alkylation products. The likage always occurs between carbon 3 of cyclic allylic alcohol and the position 2, 4, 5 or 6 of the resorcinol.

  • PDF

Excess Volumes, Speeds of Sound, Isentropic Compressibilities and Viscosities of Binary Mixtures of N-Ethyl Aniline with Some Aromatic Ketones at 303.15 K

  • Gowrisankar, M.;Sivarambabu, S.;Venkateswarlu, P.;Kumar, K. Siva
    • Bulletin of the Korean Chemical Society
    • /
    • 제33권5호
    • /
    • pp.1686-1692
    • /
    • 2012
  • Densities (${\rho}$), Viscosities (${\eta}$) and ultrasonic speeds (u) of pure acetophenone (AP), propiophenone (PP), $p$-methyl acetophenone ($p$-MeAP), $p$-chloroacetophenone ($p$-ClAP) and those of their binary mixtures with $N$-ethyl aniline ($N$-EA) as a common component, were measured at 303.15 K over the entire composition range. These experimental data were used to calculate the excess volume $V^E$, deviation in ultrasonic speeds ${\Delta}u$, isentropic compressibility $K_s$, intermolecular free length $L_f$, acoustic impedance Z, deviations in isentropic compressibility ${\Delta}K_s$, deviation in viscosity ${\Delta}{\eta}$ and excess Gibbs free energy of activation of viscous flow ($G^{*E}$) at all mole fractions of $N$-ethyl aniline. These parameters, especially excess functions, are found to be quite sensitive towards the intermolecular interactions between component molecules. Theoretical values of viscosity of the binary mixtures were calculated using different empirical relations and theories. The relative merits of these relations and theories were discussed. The experimental results were correlated by using the polynomial proposed by Redlich-Kister equation.

Self-Assembly of Pentacene Molecules on Epitaxial Graphene

  • Jung, Woo-Sung;Lee, Jun-Hae;Ahn, Sung-Joon;Park, Chong-Yun
    • 한국진공학회:학술대회논문집
    • /
    • 한국진공학회 2012년도 제43회 하계 정기 학술대회 초록집
    • /
    • pp.230-230
    • /
    • 2012
  • Graphene have showed promising performance as electrodes of organic devices such as organic transistors, light-emitting diodes, and photovoltaic solar cells. In particular, among various organic materials of graphene-based organic devices, pentacene has been regarded as one of the promising organic material because of its high mobility, chemical stability. In the bottom-contact device configuration generally used as graphene based pentacene devices, the morphology of the organic semiconductors at the interface between a channel and electrode is crucial to efficient charge transport from the electrode to the channel. For the high quality morphology, understanding of initial stages of pentacene growth is essential. In this study, we investigate self-assembly of pentacene molecules on graphene formed on a 6H-SiC (0001) substrate by scanning tunneling microscopy. At sub-monolayer coverage, adsorption of pentacene molecules on epitaxial graphene is affected by $6{\times}6$ pattern originates from the underlying buffer layer. And the orientation of pentacene in the ordered structure is aligned with the zigzag direction of the edge structure of single layer graphene. As coverage increased, intermolecular interactions become stronger than molecule-substrate interaction. As a result, herringbone structures the consequence of higher intermolecular interaction are observed.

  • PDF

Ultrasonic Speed and Isentropic Compressibility of 2-propanol with Hydrocarbons at 298.15 and 308.15 K

  • Gahlyan, Suman;Verma, Sweety;Rani, Manju;Maken, Sanjeev
    • Korean Chemical Engineering Research
    • /
    • 제55권5호
    • /
    • pp.668-678
    • /
    • 2017
  • Intermolecular interactions were studied for binary mixtures of 2-propanol + cyclohexane, n-hexane, benzene, toluene, o-, m- and p-xylenes by measuring ultrasonic speeds (u) over the entire range of composition at 298.15 K and 308.15 K. From these results the deviation in ultrasonic speed was calculated. These results were fitted to the Redlich-Kister equation to derive the binary coefficients along with standard deviations between the experimental and calculated data. Acoustic parameters such as excess isentropic compressibility ($K_s^E$), intermolecular free length ($L_f$) and available volume ($V_a$) were also derived from ultrasonic speed data and Jacobson's free length theory. The ultrasonic speed data were correlated by Nomoto's relation, Van Dael's mixing relation, impedance dependence relation, and Schaaff's collision factor theory. Van Dael's relation gives the best prediction of u in the binary mixtures containing aliphatic hydrocarbons. The ultrasonic speed data and isentropic compressibility were further analyzed in terms of Jacobson's free length theory.

Hydrogen Bonds in GlcNAc( β1,3)Gal( β)OMe in DMSO Studied by NMR Spectroscopy and Molecular Dynamics Simulations

  • Shim, Gyu-Chang;Shin, Jae-Min;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
    • /
    • 제25권2호
    • /
    • pp.198-202
    • /
    • 2004
  • Hydrogen bond is an important factor in the structures of carbohydrates. Because of great strength, short range, and strong angular dependence, hydrogen bonding is an important factor stabilizing the structure of carbohydrate. In this study, conformational properties and the hydrogen bonds in GlcNAc( ${\beta}$1,3)Gal(${\beta}$)OMe in DMSO are investigated through NMR spectroscopy and molecular dynamics simulation. Lowest energy structure in the adiabatic energy map was utilized as an initial structure for the molecular dynamics simulations in DMSO. NOEs, temperature coefficients, SIMPLE NMR data, and molecular dynamics simulations proved that there is a strong intramolecular hydrogen bond between O7' and HO3' in GlcNAc( ${\beta}$1,3)Gal(${\beta}$)OMe in DMSO. In aqueous solution, water molecule makes intermolecular hydrogen bonds with the disaccharides and there was no intramolecular hydrogen bonds in water. Since DMSO molecule is too big to be inserted deep into GlcNAc(${\beta}$1,3)Gal(${\beta}$)OMe, DMSO can not make strong intermolecular hydrogen bonding with carbohydrate and increases the ability of O7' in GlcNAc(${\beta}$1,3)Gal(${\beta}$)OMe to participate in intramolecular hydrogen bonding. Molecular dynamics simulation in conjunction with NMR experiments proves to be efficient way to investigate the intramolecular hydrogen bonding existed in carbohydrate.

셀룰로오스/키토산 및 세리신/키토산 복합화필름의 역학특성 (Mechanical Properties of Cellulose/Chitosan and Sericin/Chitosan Blend Films)

  • 윤흥수;이의소;김승일;윤호규;고교청구
    • 한국염색가공학회지
    • /
    • 제17권1호
    • /
    • pp.30-37
    • /
    • 2005
  • The tensile properties, acetic acid solubility and degree of swelling in distilled water of cellulose/chitosan and sericin/chitosan film blended by mixing chitosan acetic acid solution with cellulose solution or sericin solution were investigated and the effect of crosslinking agent on solubility and degree of swelling were also considered. From the experimental results, the model of intermolecular bond is proposed. Tensile modulus of 100% cellulose film is high but the tensile strength and elongation are low. The elongation of 100% chitosan film is high but tensile modulus and strength is low. But it is possible to make film having same or higher tensile strength and modulus compared to that of 100% cellulose film by mixing cellulose and chitosan or by mixing sericin and chitosan. Chitosan is solved in 5vol % acetic acid solution but cellulose and sericin are not solved. Degree of swelling of chitosan in distilled water is higher than that of cellulose and sericin. Lower than 40wt% chitosan content, the solubility of cellulose/chitosan film in 5vol % acetic acid solution shows lower expected value but higher in case of sericin/chitosan film.