• Title/Summary/Keyword: Intermolecular hydrogen bonds

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${\alpha}-Tocopherol$ as a Fluorescent Probe -< I > Its spectroscopic characterization and use as a probe of liposome- (형광성 탐색자(探索者)로서 ${\alpha}-Tocopherol$ -< I > 분자분광학적 특성과 Liposome Probe로서의 이용-)

  • Jeong, Jin;Kim, Dong-Hurn
    • Applied Biological Chemistry
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    • v.25 no.4
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    • pp.224-231
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    • 1982
  • ${\alpha}-Tocopherol$ was found to be a fluorescent probe in determination of the phasetransition temperature of liposome. Since this was a discovery of a new aspect of ${\alpha}-tocopherol$ as an important biochemical molecule, its molecular spectroscopic characterization was carried out in order to obtain some informations on its spectral and, structural properties in various media, anticipating that the compound may entertain a wide applications in biochemical systems as a spectroscopic probe. Two species of α${\alpha}-tocopherol$, monomer and dimer, were found to exist in organic media, especially in solvents of nonhydrogen bonding ability. Monomer with maximum UV-absorption around $(291{\sim}294nm)$ is highly fluorescent, while dimer which is formed by intermolecular hydrogen bonds and absorbes with spectral peak at 298nm is nonfluorescent. ${\alpha}-tocopherol$ incorporated to liposome exhibits emission property quite different from that in various organic media showing broad and red-shifted fluorescence excitation and emission spectra. This spectral abnormality is to be interpreted to arise from chromanolate-type ion, H-dissociated ${\alpha}-tocopherol$.

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Structures and Magnetic Properties of Monomeric Copper(II) Bromide Complexes with a Pyridine-Containing Tridentate Schiff Base

  • Kang, Sung Kwon;Yong, Soon Jung;Song, Young-Kwang;Kim, Young-Inn
    • Bulletin of the Korean Chemical Society
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    • v.34 no.12
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    • pp.3615-3620
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    • 2013
  • Two novel copper(II) bromide complexes with pyridine containing Schiff base ligands, $Cu(pmed)Br_2$ and $Cu(pmed)Br_2$ where pmed = N'-((pyridin-2-yl)methylene)ethane-1,2-diamine (pmed) and dpmed = N,N-diethyl-N'-((pyridin-2-yl)methylene)ethane-1,2-diamine (dpmed) were synthesized and characterized using X-ray single crystal structure analysis, optical and magnetic susceptibility measurements. Crystal structural analysis of $Cu(pmed)Br_2$ showed that the copper(II) ion has a distorted square-pyramidal geometry with the trigonality index of ${\tau}=0.35$ and two intermolecular hydrogen bonds, which result in the formation of two dimensional networks in the ab plane. On the other hand, $Cu(pmed)Br_2$ displayed a near square-pyramidal geometry with the value of ${\tau}=0.06$. In both compounds, the NNN Schiff base and one Br atom occupy the basal plane, whereas the fifth apical position is occupied by the other Br atom at a greater Cu-Br apical distance. The reported complexes show $g_{\mid}$ > $g_{\perp}$ > 2.0023 with a $d_{x2-y2}$ ground state and a penta-coordinated square pyramidal geometry. Variable temperature magnetic susceptibility measurements showed that the developed copper(II) complexes follow the Curie-Weiss law, that is there are no magnetic interactions between the copper(II) ions since the Cu--Cu distance is too far for magnetic contact.

The Crystal and Molecular Structure of Acetone 4-Benzylthiosemicarbazone (Acetone 4-Benzylthiosemicarbazone의 결정 및 분자구조)

  • Park Young Ja;Ahn Choong Tai
    • Journal of the Korean Chemical Society
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    • v.29 no.2
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    • pp.73-79
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    • 1985
  • The crystal and molecular structure of acetone 4-benzylthiosemicarbazone, $C_{11}H_{15}N_3S$, has been determined by the single crystal X-ray diffraction methods. The crystals are monoclinic, space group $P2_1/c$ with unit cell dimensions, a = 10.249(7), b = 11.403(9), c = 10.149(7)TEX>${\AA}$, ${\beta}$ = 90.9$(1)^0$ and z = 4. The intensities were collected on an automatic four-circle diffractometer with graphite-monochromated Mo-$K_{\alpha}$ radiation. The structure was solved by direct methods and refined by full matrix least-squares methods. The final R was 0.045 for 1554 observed reflections. S-C(8)-N(2)-N(3)-C(9)-C(10) atoms make a zigzag planar chain. There are no unusual bond lengths and angles. There are two independent hydrogen bonds in the crystal structure. One is N-H${\cdots}$S intermolecular hydrogen bond with the length of 3.555${\AA}$ and makes dimer-like units. The other is N-H${\cdots}$N intramolecular hydrogen bond with the length of 2.568${\AA}$. The structure was compared with those of other thiosemicarbazone derivatives.

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X-ray Diffraction and Infrared Spectroscopy Studies on Crystal and Lamellar Structure and CHO Hydrogen Bonding of Biodegradable Poly(hydroxyalkanoate)

  • Sato Harumi;Murakami Rumi;Zhang Jianming;Ozaki Yukihiro;Mori Katsuhito;Takahashi Isao;Terauchi Hikaru;Noda Isao
    • Macromolecular Research
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    • v.14 no.4
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    • pp.408-415
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    • 2006
  • Temperature-dependent, wide-angle, x-ray diffraction (WAXD) patterns and infrared (IR) spectra were measured for biodegradable poly(3-hydroxybutyrate) (PHB) and its copolymers, poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) P(HB-co-HHx) (HHx=2.5, 3.4, 10.5, and 12 mol%), in order to explore their crystal and lamellar structure and their pattern of C-H...O=C hydrogen bonding. The WAXD patterns showed that the P(HB-co-HHx) copolymers have the same orthorhombic system as PHB. It was found from the temperature-dependent WAXD measurements of PHB and P(HB-co-HHx) that the a lattice parameter is more enlarged than the b lattice parameter during heating and that only the a lattice parameter shows reversibility during both heating and cooling processes. These observations suggest that an interaction occurs along the a axis in PHB and P(HB-co-HHx). This interaction seems to be due to an intermolecular C-H...O=C hydrogen bonding between the C=O group in one helical structure and the $CH_3$ group in the other helical structure. The x-ray crystallographic data of PHB showed that the distance between the O atom of the C=O group in one helical structure and the H atom of one of the three C-H bonds of the $CH_3$ group in the other helix structure is $2.63{\AA}$, which is significantly shorter than the sum of the van der Waals separation ($2.72{\AA}$). This result and the appearance of the $CH_3$ asymmetric stretching band at $3009 cm^{-1}$ suggest that there is a C-H...O=C hydrogen bond between the C=O group and the $CH_3$ group in PHB and P(HB-co-HHx). The temperature-dependent WAXD and IR measurements revealed that the crystallinity of P(HB-co-HHx) (HHx =10.5 and 12 mol%) decreases gradually from a fairly low temperature, while that of PHB and P(HB-co-HHx) (HHx = 2.5 and 3.5 mol%) remains almost unchanged until just below their melting temperatures. It was also shown from our studies that the weakening of the C-H...O = C interaction starts from just above room temperature and proceeds gradually increasing temperature. It seems that the C-H...O=C hydrogen bonding stabilizes the chain holding in the lamellar structure and affects the thermal behaviour of PHB and its copolymers.

The Crystal and Molecular Structure of (dl)-2-Benzyl-4-ethylester-5-(p-methylphenyl)-3H,5H,6H-1,2,6-thiadiazine-1,1-dioxide, $C_{20}H_{22}N_2O_4S$ ((dl)-2-Benzyl-4-ethylester-5-(p-methylphenyl)-3H,5H,6H-1,2,6-thiadiazine-1,1-dioxide, $C_{20}H_{22}N_2O_4S$의 結晶 및 分子構造)

  • Shin, Hyun-So;Kim, Euisung;Song, Hyun;Lee, Chai-Ho
    • Journal of the Korean Chemical Society
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    • v.39 no.5
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    • pp.344-349
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    • 1995
  • The crystal and molecular structure of the title compound has been determined from 2568 reflections collected on an automatic CAD4 diffractometer using graphite-monochromated $Mo-K\alpha$ radiation. The crystal is monoclinic system, space group $P2_1$ with unit cell dimensions $a=8.756(8)\AA$, $b=25.757(2)\AA$, $c=8.628(1)\AA$, $\beta=99.15(4)^{\circ}$, V= 1,921(2) ${\AA}^3$, Z=4, $D_C=1.336\;g/cm^3$, ${\mu}=1.54\;cm^{-1}\;and\;T=298^{\circ}K$. The final R factor was 0.051 for 2049 reflections over $3{\sigma}(Fο).$ The crystal has two asymmetric molecules in the unit cell. The arrangement of sulfon group was shown a distorted tetrahedron structure and N(6), N(6') atoms were deviated from the least-squares planes of the thiadiazine rings, respectively. The molecular packings in the unit cell are linked by the two intermolecular hydrogen bonds of N-H---O type and van der Waals forces.

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Study on Physical Properties of Synthesized Water-based Tackifier According to Acrylic Monomer Structure and Content (아크릴 단량체 구조 및 조성에 따른 수계 점착부여제의 합성 및 물성 연구)

  • Kim, Se-Jin;Baek, Lan-Ji;Jeong, Boo-Young;Huh, PilHo;Cheon, JungMi;Chun, Jae-Hwan
    • Journal of Adhesion and Interface
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    • v.23 no.2
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    • pp.25-32
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    • 2022
  • There has been a growing demand for water based-type PSA due to environmental regulations for solvent-type PSA. And accordingly, there is a growing expectation as well for tackifiers used to compensate for the problem of deterioration of physical properties. Therefore, In this study, water-based tackifiers were synthesized by changing the contents of hard and functional acrylic monomers CHMA, IBOA, and AA. And these were added to the pressure-sensitive adhesive at 10 phr and their physical properties were compared. Tackiness slightly decreased as CHMA increased and IBOA decreased. Since the intermolecular bonding force increased due to the increase in AA content, the lower the AA content showed better results. Peel strength increased as the tackifiers were added because the fluidity of the polymer chain increased. And higher AA content showed better results because more hydrogen bonds were formed. The holding power tended to decrease as CHMA increased because the content of IBOA relatively decreased which has a large influence on the holding power. And higher AA content showed better results.