• Title/Summary/Keyword: Weak interactions

Search Result 126, Processing Time 0.028 seconds

Theoretical Study on Interactions between N-Butylpyridinium Nitrate and Thiophenic Compounds

  • Lu, Renqing;Liu, Dong;Wang, Shutao;Lu, Yukun
    • Bulletin of the Korean Chemical Society
    • /
    • v.34 no.6
    • /
    • pp.1814-1822
    • /
    • 2013
  • By using density functional theory calculations, we have performed a systemic study on the electronic structures and topological properties of interactions between N-butylpyridinium nitrate ($[BPY]^+[NO_3]^-$) and thiophene (TS), benzothiophene (BT), dibenzothiophene (DBT), naphthalene (NAP). The most stable structure of $[BPY]^+[NO_3]^-$ ion pair indicates that hydrogen bonding interactions between oxygen atoms on $[NO_3]^-$ anion and C2-H2 on pyridinium ring play a dominating role in the formation of ion pair. The occurrence of hydrogen bonding, ${\pi}{\cdots}$H-C, and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and TS, BT, DBT, NAP has been corroborated at the molecular level. But hydrogen bonding and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and NAP are weak in terms of structural properties and NBO, AIM analyses. DBT is prior to adsorption on N-butylpyridinium nitrate ionic liquid.

Determination of Strongly Interacting Spin Exchange Paths in Cu2(O3PCH2PO3) on the Basis of Spin Dimer Analysis

  • Bae, Hyun-Woo;Koo, Hyun-Joo
    • Bulletin of the Korean Chemical Society
    • /
    • v.29 no.1
    • /
    • pp.122-126
    • /
    • 2008
  • The magnetic properties of the organic/inorganic hybrid copper-methylenediphosphonate, Cu2(O3PCH2PO3) were examined by performing the spin dimer analysis based on the extended Hckel tight binding method. In Cu2(O3PCH2PO3) the CuO3 chains made up of edge-sharing CuO5 square pyramidal units are inter-linked by O-P-O bridges. The Cu-O-Cu superexchange interactions of the CuO3 chains are negligibly weak compared with the Cu-O…O-Cu super-superexchange interactions that occur between the CuO3 chains. The spin exchange interactions of Cu2(O3PCH2PO3) are dominated by three super-superexchange interactions, which leads to a three-dimensional antiferromagnetic spin lattice. The strongest spin exchange interactions form isolated spin dimers, which suggests that, to a first approximation, the magnetic properties can be described in terms of an isolated spin dimer model.

Analyzing Price Interactions between Wild Caught Fish and Farmed Fish on the Korean Seafood Market (자연산 어류와 양식산 어류 간의 가격 경합성 분석)

  • KIM, Do-Hoon;KIM, Hye-Seong
    • Journal of Fisheries and Marine Sciences Education
    • /
    • v.27 no.6
    • /
    • pp.1610-1618
    • /
    • 2015
  • This study is aimed to estimate price interactions between wild caught fish and farmed fish on the Korean seafood market, using multivariate cointegration analysis. Major commercially important four wild caught fish (chub mackerel, hairtail, yellow croaker and spanish mackerel) and two farmed fish(oliver flounder and black rockfish) are selected as analytical target fish species. Between 2000 and 2013, monthly production and price data are used in this study. The results of cointegration test showed that there would be a long-term equilibrium relationship among 4 wild caught fish and 2 farmed fish. However, the results of exclusion test indicated that farmed fish might not contribute significantly to the long-run relationship, suggesting that farmed fish might be only a weak substitute for wild caught fish, but no significant interaction could be found.

Folding of Coordination Polymers into Double-Stranded Helical Organization

  • Kim, Ho-Joong;Lee, Eun-Ji;Lee, Myong-Soo
    • Proceedings of the Polymer Society of Korea Conference
    • /
    • 2006.10a
    • /
    • pp.248-248
    • /
    • 2006
  • The notable feature of the Cu(II) coordination polymer investigated here is its ability to self-assemble into a double-stranded helical structure with regular grooves along the helical axis, through the combination of metal-chloride dimeric interactions and repulsive interactions, as an organizing force. It is also remarkable that the double-stranded helices self-organize into a 2-D columnar structure in both the bulk state and aqueous solution. These results represent a unique example that weak metal-ligand bridging interactions can provide a useful strategy to construct stable double-stranded helical nanotubes.

  • PDF

Self-assembly Coordination Compounds of Cu(II), Zn(II) and Ag(I) with btp Ligands (btp = 2,6-bis(N'-1,2,4-triazolyl)pyridine):Counteranion Effects

  • Kim, Cheal;Kim, Sung-Jin;Kim, Young-Mee
    • Korean Journal of Crystallography
    • /
    • v.16 no.2
    • /
    • pp.107-127
    • /
    • 2005
  • Five Cu(II) compounds were obtained from different copper salts with btp ligands, and their structures were determined by X-ray crystallography. The structure of coordination polymer 2 contains btp-bridged tetranuclear Cu(II) units weakly connected by nitrate ions, and the structure of a discrete Cu(II) molecule 1 contains acetates and btp ligands. With perchlorate anions, two btp ligands bridge Cu(II) ions to form a double zigzag chain 3, while a single zigzag chain 4 is created with sulfate anions. The reaction of $Cu(NO_{3})_{2}$ containing $NH_{4}PF_{6}$ with btp ligands also produced a polymeric compound 5 containing $Cu(H_{2}O)_{2}^{2+}$ and $Cu(NO_{3})_{2}$ units alternatively bridged by btp ligands with H-bonds between copper bonded water and nitrate oxygen atoms. Five Zn(II) compounds were obtained from different zinc salts with btp ligands, and the structures of polymeric compounds (6, 7 and 8) and monomeric compounds (9 and 10) were determined by X-ray crystallography. With nitrate, chloride and bromide anions, btp ligands bridge Zn(II) ions to form polymeric compounds (6, 7 and 8), but btp ligands coordinate to a Zn(II) ion to form monomeric complexes (9 and 10) with $PF_{6}^{-}$ and perchlorate anions. Four silver salts and btp ligands produced two kinds of structures, dinuclear 20-membered rings and one-dimensional zigzag chain depending on different anions. For $ClO_{4}^{-}$ and OTf anions, weak interactions between Ag(I) and anions make dinuclear 20-membered rings construct polymeric compounds (11 and 13). For $PF_{6}^{-}$ anion, there are also weak interactions between Ag(I) and $F(PF_{6}^{-})(12)$, but they do not construct a polymeric compound. For $O_{2}CCF_{3}^{-}$ anion, btp ligands bridge Ag(I) atoms to make one-dimensional zigzag chain (14), and there are also interactions between Ag(I) and anions.

Rotated Domains in Chemical Vapor Deposition-grown Monolayer Graphene on Cu(111): An Angle-resolved Photoemission Study

  • Jeon, Cheolho;Hwang, Han-Na;Lee, Wang-Geun;Kim, Kwang S.;Park, Chong-Yun;Hwang, Chan-Cuk
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2014.02a
    • /
    • pp.114.1-114.1
    • /
    • 2014
  • Copper is considered to be the most promising substrate for the growth of high-quality and large area graphene by chemical vapor deposition (CVD), in particular, on the (111) facet. Because the interactions between graphene and Cu substrates influence the orientation, quality, and properties of the synthesized graphene, we studied the interactions using angle-resolved photoemission spectroscopy. The evolution of both the Shockley surface state of the Cu(111) and the p band of the graphene was measured from the initial stage of CVD growth to the formation of a monolayer. Graphene growth was initiated along the Cu(111) lattice, where the Dirac band crossed the Fermi energy ($E_F$) at the K point without hybridization with the d-band of Cu. Then two rotated domains were additionally grown as the area covered with graphene became wider. The Dirac energy was about 0.4 eV and the energy of the Shockley surface state of Cu(111) shifted toward the $E_F$) by 0.15 eV upon graphene formation. These results indicate weak interactions between graphene and Cu, and that the electron transfer is limited to that between the Shockley surface state of Cu(111) and the p band of graphene. This weak interaction and slight lattice mismatch between graphene and Cu resulted in the growth of rotated graphene domains ($9.6^{\circ}$ and $8.4^{\circ}$), which showed no significant differences in the Dirac band with respect to different orientations. These rotated graphene domains resulted in grain boundaries which would hinder a large-sized single monolayer growth on Cu substrates.

  • PDF

Rotated Domains in Chemical Vapor Deposition-grown Monolayer Graphene on Cu(111): Angle-resolved Photoemission Study

  • Jeon, Cheolho;Hwang, Han-Na;Lee, Wang-Geun;Jung, Yong Gyun;Kim, Kwang S.;Park, Chong-Yun;Hwang, Chan-Cuk
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2013.08a
    • /
    • pp.146.2-146.2
    • /
    • 2013
  • Copper is considered to be the most promising substrate for the growth of high-quality and large area graphene by chemical vapor deposition (CVD), in particular, on the (111) facet. Because the interactions between graphene and Cu substrates influence the orientation, quality, and properties of the synthesized graphene, we studied the interactions using angle-resolved photoemission spectroscopy. The evolution of both the Shockley surface state of the Cu(111) and the ${\pi}$ band of the graphene was measured from the initial stage of CVD growth to the formation of a monolayer. Graphene growth was initiated along the Cu(111) lattice, where the Dirac band crossed the Fermi energy (EF) at the K point without hybridization with the d-band of Cu. Then two rotated domains were additionally grown as the area covered with graphene became wider. The Dirac energy was about -0.4 eV and the energy of the Shockley surface state of Cu(111) shifted toward the EF by ~0.15 eV upon graphene formation. These results indicate weak interactions between graphene and Cu, and the electron transfer is limited to that between the Shockley surface state of Cu(111) and the ${\pi}$ band of graphene. This weak interaction and slight lattice mismatch between graphene and Cu resulted in the growth of rotated graphene domains ($9.6^{\circ}$ and $8.4^{\circ}$), which showed no significant differences in the Dirac band with respect to different orientations. These rotated graphene domains resulted in grain boundaries which would hinder a large-sized single monolayer growth on Cu substrates.

  • PDF

Formation of Weak Ties in Social Media (소셜미디어에서 약한 유대관계의 형성)

  • Park, Chala;Lim, Seongtaek;Yun, Sang;Lee, Inseong;Kim, Jinwoo
    • The Journal of the Korea Contents Association
    • /
    • v.14 no.4
    • /
    • pp.97-109
    • /
    • 2014
  • Social media is a general term for online services by which users share opinions, perspectives, and experiences. It supports interactions between users in sharing contents on it and weak ties among them play an important role in the process. This exploratory study attempts to identify crucial factors of establishing weak ties between social media users in the perspective of social network theory and uncertainty reduction theory. We collected data through diary study and in-depth interview and analyzed it following grounded theory approach. As a result, social media users more actively interacted each other or shared contents based on weak ties, compared to strong ties. In addition, similarity, self-disclosure, and relevance appeared to facilitate establishment of weak ties, by reducing psychological distance between social media users and perceived uncertainty of them.

An Effective Method for Mathematics Teaching and Learning in Characterization High School (특성화고교에서의 효과적인 수학교육 방안)

  • Lee, Seung Hwa;Kim, Dong Hwa
    • East Asian mathematical journal
    • /
    • v.31 no.4
    • /
    • pp.569-585
    • /
    • 2015
  • Many mathematics teachers in characterization high schools have been troubled to teach students because most of the students have weak interests in mathematics and they are also lack of preliminary mathematical knowledges. Currently many of mathematics teachers in such schools teach students using worksheets owing to the situation that proper textbooks for the students are not available. In this study, we referred to Chevallard's didactic transposition theory based on Brousseau's theory of didactical situations for mathematical teaching and learning. Our lessons utilizing worksheets necessarily entail encouragement of students' self-directed activities, active interactions, and checking the degree of accomplishment of the goal for each class. Through this study, we recognized that the elaborate worksheets considering students' level, follow-up auxiliary materials that help students learn new mathematical notions through simple repetition if necessary, continuous interactions in class, and students' mathematical activities in realistic situations were all very important factors for effective mathematical teaching and learning.

Numerical study on the evolution of the spin of spiral galaxies

  • Hwang, Jeong-Sun;Park, Changbom
    • The Bulletin of The Korean Astronomical Society
    • /
    • v.44 no.2
    • /
    • pp.73.1-73.1
    • /
    • 2019
  • We investigate the evolution of the galactic spin of spiral galaxies in various dynamical situations using the N-body/SPH simulations. To do this we first construct a Milky Way-like galaxy model. Then we perform both prograde and retrograde encounters between the spiral galaxy pair. We also conduct a simulation with our galaxy model in isolation for comparison. We find that the circular motion of the disk stars in the inner region of the galaxy decrease clearly when the galaxy experiences strong prograde interactions. Such decrease has not found when the galaxy experiences weak or no interactions. We compare our simulation results with recent observational studies on the galactic spins.

  • PDF