• 제목/요약/키워드: P-P bonding

검색결과 891건 처리시간 0.03초

2-Methyl-3-(N-trimethyl ammonium)phenol Iodide의 결정 구조 (The Crystal Structure of 2-Methyl-3-(N-trimethyl ammonium)phenol Iodide)

  • 조성일;윤혜숙;구정회
    • 약학회지
    • /
    • 제24권2호
    • /
    • pp.135-141
    • /
    • 1980
  • The crystal and molecular structure of 2-methyl-3-(N-trimethyl ammonium)phenol iodide, $C_{10}H_{16}NOI, was determined by X-ray diffraction method. The compound crystallizes in the orthorhombic space group $P_{na2}_{1}$ with a=13.327(3), b=12.496(3), C=7.227(2)A and Z=4. A total of 489 independent observed reflections were collected by the automated Four-circle diffractometer and was solved by heavy atom method and refined by anisotropic block-diagonal least-squares method to the R value of 0.04. The benzene ring is slightly distorted from regular hexagon. The I atom and 2-methyl-3-(N-trimethyl ammonium)phenol group is held together by van der Waals forces in the crystal. Intermolecular hydrogen bond is of the type O-H....I with the length 3.35.angs.. Apart from the hydrogen bonding system the molecules are held together by van der Waals forces in the crystal.

  • PDF

5-Bromo-Ph4-BTPhen Ligand for Selective Removal of Strontium and Cobalt From Water

  • Jang, Jiseon;Harwood, Laurence M.;Cowell, Joe;Afsar, Ashfaq;Lee, Dae Sung
    • 한국방사성폐기물학회:학술대회논문집
    • /
    • 한국방사성폐기물학회 2018년도 춘계학술논문요약집
    • /
    • pp.183-183
    • /
    • 2018
  • In this study, 5-bromo-2,9-bis(5,6-diphenyl-1,2,4-triazin-3-yl)-1,10-phenanthroline (5-bromo-Ph4-BTPhen) was synthesized and evaluated for its ability to remove major radionuclides ($Cs^+$, $Sr^{2+}$, and $Co^{2+}$). The synthesized ligand removed both $Sr^{2+}$ and $Co^{2+}$ from $1mg\;L^{-1}$ aqueous solutions with extraction efficiencies of up to 99% at neutral and alkaline pH. The $Sr^{2+}$ and $Co^{2+}$ removal efficiencies decreased as a consequence of the higher bonding strengths of competing metal ions to the N-donor atoms in the cavity of the ligand; competing divalent ions affected the $Sr^{2+}$ and $Co^{2+}$ removal efficiencies more than monovalent ions.

  • PDF

The Structure and Ab Initio Studies of Thiourea Dioxide

  • 송진수;김은희;강성권;윤석성;서일환;최성산;이삼근;William P. Jensen
    • Bulletin of the Korean Chemical Society
    • /
    • 제17권2호
    • /
    • pp.201-205
    • /
    • 1996
  • The crystal and molecular structure of thiourea dioxide, (NH2)2CSO2, was determined by x-ray single crystal diffraction techniques. Lattice constants are a=10.669(2), b=10.119(2), and c=3.9151(5) Å with the space group Pnma and Z=4. The thiourea portion of the molecule has a planar conformation. When the two oxygen atoms are included, the sulfur atom is at the apex of a trigonal pyramid formed with the two oxygen atoms and the carbon atom as the base. The crystal structure is stabilized by strong intermolecular hydrogen bonds. Ab initio calculations were performed to investigate the bonding features and reactivity of thiourea dioxide. The calculated bond order of S-C is only 0.481. The hydrogen bond energy was computed to be 22.3 kcal/mol for dimer. MEP analysis reveals that the sites on nucleophilic reactions are S and C atoms.

Synthesis and Properties of Dicyclohexyltin(IV) Complexes. Structure of $Cy_2Sn(S_2CNMe_2)_2 $

  • Jung, Ok-Sang;Kim, Min-Jung;Jeong, Jong-Hwa;Sohn, Youn-Soo
    • Bulletin of the Korean Chemical Society
    • /
    • 제10권4호
    • /
    • pp.343-346
    • /
    • 1989
  • Dicyclohexyltin(IV) complexes $Cy_2SnX (X = O,\;S,\;(Me_2NCS_2)_2)$ have been prepared and characterized by means of elemental analysis, cryoscopic data, and IR spectroscopy. X-ray structure determination for $Cy_2Sn(S_2CNMe_2)_2$ (monoclinic; P2/c;a = 8.992(1), b = 6.688(1), c = 19.453(2) ${\AA},\;{\beta}$ = 96.556(7) ; R = 0.041) has shown that the molecule is $C_2$-symmetric with both dithiocarbamate ligands bonding in anisobidentate mode and the local geometry around the hexacoordinate Sn(IV) atom is a distorted octahedral arrangement with the two cyclohexyl groups in trans position. The physical and chemical properties measured suggest polymeric and trimeric structures for $Cy_2SnO\;and\;Cy_2SnS$, respectively.

The Crystal and Molecular Structure of Chloramphenicol Base

  • Shin, Whan-Chul;Pyo, Myung_Ho
    • Bulletin of the Korean Chemical Society
    • /
    • 제5권4호
    • /
    • pp.158-162
    • /
    • 1984
  • The crystal structure of chloramphenicol base, $C_9H_{l2}N_2O_4$, the deacylated base of antibiotic chloramphenicol, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with CuK${\alpha}$ radiation from a crystal with space group symmetry $P2_12_12_1$ and unit cell parameters a = 22.322(6), b = 7.535(6), c = 5.781(5) ${\AA}$. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.051 for the 573 observed reflections. The overall conformation of the base is quite different from those of the chloramphenicol congeners which are similar despite the presence of many rotatable single bonds. The propane chain in the base is bent with respect to the phenyl ring, while it is extended in the chloramphenicol congeners. There is no intramolecular hydrogen bond between the hydroxyl groups of the propanediol moiety. All of the molecules in the crystal lattice are connected by a three-dimensional hydrogen bonding network.

Green synthesis of aluminum-based metal organic framework for the removal of azo dye Acid Black 1 from aqueous media

  • Jung, Kyung-Won;Choi, Brian Hyun;Lee, Seon Yong;Ahn, Kyu-Hong;Lee, Young Jae
    • Journal of Industrial and Engineering Chemistry
    • /
    • 제67권
    • /
    • pp.316-325
    • /
    • 2018
  • Aluminum based metal-organic framework using a di-carboxylate linker succinic acid (Al-SA MOF), are synthesized in water with minimal generation of secondary pollutants. The physicochemical properties of Al-SA MOF were examined, followed by its utility for the adsorption of Acid Black 1 (AB1) in aqueous media. Influences of key parameters such as pH, contact time, initial AB1 concentration,temperature, and selectivity on the adsorption process were assessed. A series of adsorption mechanisms are proposed, which involve electrostatic, hydrogen bonding, and hydrophobic interactions. These findings suggest that Al-SA MOF is a potent candidate in removing complex azo dyes molecules from aqueous media.

Mucoadhesive Drug Carrier Using Poly(acrylic acid)/poly(vinyl alcohol) Interpolymer Complexes by Template Polymerization

  • Oh, Jung-Min;Cho, Chong-Su;Chun, Myung-Kwan;Choi, Hoo-Kyun
    • 대한약학회:학술대회논문집
    • /
    • 대한약학회 2002년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2
    • /
    • pp.408.1-408.1
    • /
    • 2002
  • A interpolymer complexes composed of poly(acrylic acid)(PAA) and po!y(vinyl alcohol)(PVA) were prepared by template polymerization of acrylic acid in the presence of PVA for mucoadhesive drug delivery. FT -IR results showed that the PAA/PVA interpolymer complex was formed by hydrogen bonding between the carboxyl groups of PAA and the hydroxyl group of PVA. The dissolution rate or the swelling ratio of the PAA/PVA interpolymer complexes was dependent on the pH and molecular weight of PVA that was used as a template. (omitted)

  • PDF

사용후핵연료 심지층 처분장의 완충재 소재인 WRK 벤토나이트의 pH 차이에 따른 우라늄 흡착 특성과 기작 (Uranium Adsorption Properties and Mechanisms of the WRK Bentonite at Different pH Condition as a Buffer Material in the Deep Geological Repository for the Spent Nuclear Fuel)

  • 오유나;신대현;김단우;전소영;김선옥; 이민희
    • 자원환경지질
    • /
    • 제56권5호
    • /
    • pp.603-618
    • /
    • 2023
  • 사용후핵연료(Spent nuclear fuel; SNF) 심지층 처분장의 완충재 소재로서 WRK (waste repository Korea) 벤토나이트가 적합한 지를 평가하기 위하여, 대표적인 방사성 핵종인 U (uranium)에 대한 WRK 벤토나이트의 흡/탈착 특성과 흡착 기작을 규명하는 다양한 분석, 흡/탈착 실내 실험, 동역학 흡착 모델링을 다양한 pH 조건에서 수행하였다. 다양한 특성 분석 결과, 주성분은 Ca-몬모릴로나이트이며, U 흡착 능력이 뛰어난 광물학적·구조적 특징들을 가지고 있었다. WRK 벤토나이트의 U 흡착 효율 및 탈착율을 규명하기 위한 흡/탈착 실험 결과, pH 5, 6, 10, 11 조건에서 WRK 벤토나이트와 U 오염수(1 mg/L)가 낮은 비율(2 g/L)로 혼합되었음에도 불구하고 높은 U 흡착 효율(>74%)과 낮은 U 탈착율(<14%)을 보였으며, 이는 WRK 벤토나이트가 SNF 처분장에서 U 거동을 제한하는 완충재 소재로서 적절하게 사용될 수 있음을 의미한다. pH 3과 7 조건에서는 상대적으로 낮은 U 흡착 효율(<45%)이 나타났으며, 이는 U가 용액의 pH 조건에 따라 다양한 형태로 존재하며, 존재 형태에 따라 상이한 U 흡착 기작을 가지기 때문으로 판단된다. 본 연구 실험 결과와 선행연구를 바탕으로 WRK 벤토나이트의 주요 화학적 U 흡착 기작을 pH 범위에 따라 용액 내 U의 존재 형태에 근거하여 설명하였다. pH 3 이하에서 주로 UO22+ 형태로 존재하는 U는 벤토나이트 표면의 Si-O 또는 Al-O(OH)와의 정전기적 인력(예: 이온 결합)에 의해 흡착되기 때문에 pH가 감소할수록 음전하 표면이 약해지는 WRK 벤토나이트 특성에 의해 비교적 낮은 U 흡착 효율이 나타났다. pH 7 이상의 알칼리성 조건에서 U는 음이온 U-수산화 복합체(UO2(OH)3-, UO2(OH)42-, (UO2)3(OH)7- 등)로 존재하며 비교적 높은 흡착 효율이 나타내는데, 이들은 벤토나이트에 포함된 Si-O 또는 Al-O(OH)의 산소원자를 공유하거나 리간드 교환에 의해 새로운 U-복합체가 형성되어 흡착되거나 수산화물 형태의 공침(co-precipitation)에 의해 벤토나이트에 고정되기 때문이다. pH 7의 중성 조건에서는 pH 5와 6보다 오히려 낮은 U 흡착 효율(42%)이 나타났는데, 이러한 결과는 용액 내 존재하는 탄산염(carbonate)에 의해 U가 U-수산화 복합체보다 용해도가 높은 U-탄산염 복합체로 존재하는 경우 가능하다. 연구 결과 pH를 약산성 또는 염기성 조건으로 유지하거나 용액 내 존재하는 탄산염을 제한함으로써 WRK 벤토나이트의 U 흡착 효율을 높일 수 있는 것으로 나타났다.

도재 수리시스템에 따른 도재와 복합레진의 전단결합강도 (SHEAR BOND STRENGTHS OF COMPOSITE RESIN TO PORCELAINS AMONG PORCELAIN REPAIR SYSTEMS)

  • 김경규;신상완;이정렬;김영수
    • 대한치과보철학회지
    • /
    • 제45권4호
    • /
    • pp.419-430
    • /
    • 2007
  • Purpose: This in vitro study evaluated shear bond strengths of surface treatment porcelains with four porcelain repair systems simulating intraoral bonding of composite resin to feldspathic porcelain or pressable porcelain. Material and methods: Eighty Porcelain disks were prepared. Group A: forty disk specimens were fabricated with Feldspathic Porcelain($Omega^{(R)}900$, Vident, Menlo Park, CA, USA). Group B: forty disk specimens were fabricated with Pressable Porcelain(IPS Empress 2 ingot, Ivoclar-Vivadent, Schaan, Liechtenstein, Germany). Each groups was divided into 4 subgroups and composite resin cylinders were bonded to specimen with one of the following four systems: Clearfil Porcelain Bond(L. Morita, Tustin, CA, USA), Ulradent Porcelain Etch. (Ultradent, Salt Lake City UT, USA), Porcelain Liner-M(Sun Medical Co., Kyoto, Japan), Cimara Kit(Voco, Germany). After surface conditioning with one of the four porcelain repair systems substrate surfaces of the specimen were examined microscopically(SEM). Shear bond strengths of specimens for each subgroup were determined with a universal testing machine (5mm/min crosshead speed) after storing them in distilled water at $37{\pm}1^{\circ}C$ for 24 hours. Stress at failure was measured in $MP_a$, and mode of failure was recorded. Differences among four repair systems were analyzed with two way ANOVA and Duncan test at the 95% significance level. Results: In the scanning electron photomicrograph of the treated porcelain surface, hydrofluoric acid etched group appeared the highest roughness. The shear bond strength of the phosphoric acid etched group was not significantly(p>0.05) different between feldspathic porcelain and pressable porcelain. But in no treatment and roughened with a bur group, the shear bond strength of the feldspathic porcelain was significantly higher than that of the pressable porcelain. In hydrofluoric acid etched group, the shear bond strength of the pressable porcelain was significantly higher(p<0.05). Conclusion: 1. Treatment groups showed significantly greater shear bond strengths than no treatment group(p<0.05). 2. Group with more roughened porcelain surface did not always show higher shear bond strengths. 3. In phosphoric acid etched group, there was no significant difference in shear bond strength between feldspathic porcelain and pressable porcelain(p>0.05). However in the other groups, there were significant differences in shear bond strengths between feldspathic porcelain and pressable porcelain(p<0.05).

우치치질에 레이저조사시 레진과의 결합강도에 관한 연구 (An Experimental Study on the Effect of Laser to Bond Strength between Composite Resin and Bovine Teeth)

  • 조주온;송광엽;박찬운
    • 대한치과보철학회지
    • /
    • 제27권2호
    • /
    • pp.155-172
    • /
    • 1989
  • The purpose of this study is to measure the bonding strength at the enamel and dentin of extracted bovine incisors when they are irradiated by W Nd: YAG, EoQ Nd: YAG, and CW $CO_2$ laser, etched and then attached by composite resin. The laser-irradiated surface, the etched surface after the laser-irradiation and the interface of the treated surface and resin are observed by using scanning electron microscope. The NP Nd:YAG laser is used at the peam power of 207 KW. The EOQ Nd: YAG laser is used at the peak power of 1.15Mk. The CW $CO_2$ laser is used at the energy output of 5W and 10W in enamel; in dentin, at the energy output of 2W. The obtained results were as follows: 1. The shear bond strength of enamel decreased in the following order: EOQ Nd:YAG laser group, NP Nd:YAG laser group, CW $CO_2$ laser groups, unlased group. The unlased group showed a significant difference from EOQ Nd:YAG laser group (P<0.01), NP Nd:YAG laser group (P<0.05), but no significant difference from CW $CO_2$ laser group (P>0.05). 2. The shear bond strength of dentin decreased in the following order: CW $CO_2$ laser group, NP Nd:YAG laser group, unlased group, EOQ Nd:YAG laser group. The unlased group showed a significant difference from CW $CO_2$ laser group (P<0.01), but no significant difference from Nd:YAG laser groups (P>0.05). 3. The scanning electron microscope of enamel revealed irregular microcrack and pore at the surface in the NP Nd:YAG laser group and CW $CO_2$ laser group, but the crackless flat surface in the EOQ Nd:YAG laser group. 4. The scanning electron microscope of dentin revealed obstruction of in most of dentinal tubule and decrease of diameter. 5. The scanning electron microscope of the interface of resin and enamel revealed prominent penetration of resin tag in the EOQ Nd:YAG laser group.

  • PDF