• Title/Summary/Keyword: Electron Configuration

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Synthesis and Photovoltaic Properties of Alternating Conjugated Polymers Derived from Thiophene-Benzothiadiazole Block and Fluorene/Indenofluorene Units

  • Li, Jianfeng;Tong, Junfeng;Zhang, Peng;Yang, Chunyan;Chen, Dejia;Zhu, Yuancheng;Xia, Yangjun;Fan, Duowang
    • Bulletin of the Korean Chemical Society
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    • v.35 no.2
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    • pp.505-512
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    • 2014
  • A new donor-accepter-donor-accepter-donor (D-A-D-A-D) type 2,1,3-benzothiadiazole-thiophene-based acceptor unit 2,5-di(4-(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl)thiophene ($DTBTTBr_2$) was synthesized. Copolymerized with fluorene and indeno[1,2-b]fluorene electron-rich moieties, two alternating narrow band gap (NBG) copolymers PF-DTBTT and PIF-DTBTT were prepared. And two copolymers exhibit broad and strong absorption in the range of 300-700 nm with optical band gap of about 1.75 eV. The highest occupied molecular orbital (HOMO) energy levels vary between -5.43 and -5.52 eV and the lowest unoccupied molecular orbital (LUMO) energy levels range from -3.64 to -3.77 eV. Potential applications of the copolymers as electron donor material and $PC_{71}BM$ ([6,6]-phenyl-$C_{71}$ butyric acid methyl ester) as electron acceptors were investigated for photovoltaic solar cells (PSCs). Photovoltaic performances based on the blend of PF-DTBTT/$PC_{71}BM$ (w:w; 1:2) and PIF-DTBTT/$PC_{71}BM$ (w:w; 1:2) with devices configuration as ITO/PEDOT: PSS/blend/Ca/Al, show an incident photon-to-current conversion efficiency (IPCE) of 2.34% and 2.56% with the open circuit voltage ($V_{oc}$) of 0.87 V and 0.90 V, short circuit current density ($J_{sc}$) of $6.02mA/cm^2$ and $6.12mA/cm^2$ under an AM1.5 simulator ($100mA/cm^2$). The photocurrent responses exhibit the onset wavelength extending up to 720 nm. These results indicate that the resulted narrow band gap copolymers are viable electron donor materials for polymer solar cells.

Synthesis and Spectroscopic Characterization of Manganese(II), Iron(III) and Cobalt(III) Complexes of Macrocyclic Ligand. Potential of Cobalt(III) Complex in Biological Activity

  • El-Tabl, Abdou S.;Shakdofa, Mohamad M.E.;El-Seidy, Ahmed M.A.
    • Journal of the Korean Chemical Society
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    • v.55 no.6
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    • pp.919-925
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    • 2011
  • A new series of manganese(II), iron(III) and cobalt(III) complexes of 14-membered macrocyclic ligand, (3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1,8-diamine) have been prepared and characterized by elemental analyses, IR, UV-VIS, $^1H$- and $^{13}C$- NMR spectra, magnetic susceptibilities, conductivities, and ESR measurements. Molar conductance measurements in DMF solution indicate that the complexes are electrolytes. The ESR spectrum for cobalt(III) complex in $CD_3OD+10%D_2O$ after exposure to $^{60}Co-{\gamma}$-rays at 77 K using a 0.2217 M rad $h^{-1}$ vicrad source showed $g_{\perp}$ > $g_{\parallel}$ > $g_e$, indicating that, the unpaired electron site is mainly present in the $d_z2$ orbital with covalent bond character. In this case, the ligand hyperfine tensors are nearly collinear with ${\gamma}$-tensors, so there is no major tendency to bend. Therefore, little extra delocalization via the ring lobe of the $dz^2$ orbital occurs. However, the ESR spectrum in solid state after exposure to $^{60}Co-{\gamma}$-rays at 77 K showed $g_{\parallel}$ > $g_{\perp}$ > $g_e$, indicating that, the unpaired electron site is mainly present in the $d_x2_{-y}2$ ground state as the resulting spectrum contains a large number of randomly oriented molecules provided that, the principle directions of g and A tensors. Manganese (II) complex 2, $[H_{12}LMn]Cl_4.2H_2O$, showed six isotropic lines characteristic to an unpaired electron interacting with a nucleus of spin 5/2, however, iron(III) complex 3, $[H_{12}LFe]Cl_5.H_2O$, showed spectrum of a high spin $^{57}Fe$ (I=1/2), $d^5$ configuration. The geometry of these complexes was supported by elemental analyses, IR, electronic and ESR spectral studies. Complex 1 showed exploitation in reducing the amount of electron adducts formed in DNA during irradiation with low radiation products.

Atomic layer chemical vapor deposition of Zr $O_2$-based dielectric films: Nanostructure and nanochemistry

  • Dey, S.K.
    • Electrical & Electronic Materials
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    • v.16 no.9
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    • pp.64.2-65
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    • 2003
  • A 4 nm layer of ZrOx (targeted x-2) was deposited on an interfacial layer(IL) of native oxide (SiO, t∼1.2 nm) surface on 200 mm Si wafers by a manufacturable atomic layer chemical vapor deposition technique at 30$0^{\circ}C$. Some as-deposited layers were subjected to a post-deposition, rapid thermal annealing at $700^{\circ}C$ for 5 min in flowing oxygen at atmospheric pressure. The experimental x-ray diffraction, x-ray photoelectron spectroscopy, high-resolution transmission electron microscopy, and high-resolution parallel electron energy loss spectroscopy results showed that a multiphase and heterogeneous structure evolved, which we call the Zr-O/IL/Si stack. The as-deposited Zr-O layer was amorphous $ZrO_2$-rich Zr silicate containing about 15% by volume of embedded $ZrO_2$ nanocrystals, which transformed to a glass nanoceramic (with over 90% by volume of predominantly tetragonal-$ZrO_2$(t-$ZrO_2$) and monoclinic-$ZrO_2$(m-$ZrO_2$) nanocrystals) upon annealing. The formation of disordered amorphous regions within some of the nanocrystals, as well as crystalline regions with defects, probably gave rise to lattice strains and deformations. The interfacial layer (IL) was partitioned into an upper Si $o_2$-rich Zr silicate and the lower $SiO_{x}$. The latter was sub-toichiometric and the average oxidation state increased from Si0.86$^{+}$ in $SiO_{0.43}$ (as-deposited) to Si1.32$^{+}$ in $SiO_{0.66}$ (annealed). This high oxygen deficiency in $SiO_{x}$ indicative of the low mobility of oxidizing specie in the Zr-O layer. The stacks were characterized for their dielectric properties in the Pt/{Zr-O/IL}/Si metal oxide-semiconductor capacitor(MOSCAP) configuration. The measured equivalent oxide thickness (EOT) was not consistent with the calculated EOT using a bilayer model of $ZrO_2$ and $SiO_2$, and the capacitance in accumulation (and therefore, EOT and kZr-O) was frequency dispersive, trends well documented in literature. This behavior is qualitatively explained in terms of the multi-layer nanostructure and nanochemistry that evolves.ves.ves.

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BLR Density Variations of the Seyfert 1 Galaxies NGC 4151 and NGC 5548 (Seyfert 1 은하 NGC 4151, NGC 5548의 BLR 밀도 변화)

  • Son, Dong-Hoon;Hyung, Siek
    • Journal of the Korean earth science society
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    • v.25 no.6
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    • pp.495-501
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    • 2004
  • Using numerous ground-based or space-based telescopes by many astronomers, AGN spectroscopic monitoring campaigns have been carried out over many years to study the variability of continua and emission lines. We investigate the SWP IUE spectra of a large aperture configuration for the Seyfert 1 galaxies NGC 4151 and NGC 5548. We estimate the BLR electron number densities and their variation from the line ratios of C III] 1909 to Si III] 1892. With the ratios of C IV 1550 to C III] 1909 which give us the information on the ionization parameter of BLR, we try to find the physical conditions of the BLR and activities of he super massive black hole surroundings. The BLR density variations scale as 4 and 8 for NGC 4151 and NGC 5548, respectively. Based on the BLR size and C III] line profiles, we found both black hole masses as about $10^7$ $M_{\odot}$.

A Study on the Electronic Properties and Redox Reaction of Europium(Ⅲ) Complexes in Aprotic Solvent (반 양성자성 용매속에서 Europium(Ⅲ) 착물에 대한 전자적 성질과 산화 · 환원 반응에 관한 연구)

  • Choe, Chil Nam;Son, Hyo Youl;Kim, Se Bong
    • Journal of the Korean Chemical Society
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    • v.40 no.1
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    • pp.65-71
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    • 1996
  • The chemical behaviour of the Eu(Ⅲ) complexes with organic ligands(tris[3-(trifluoromethylhydroxymethylene-camphorato)]) and tris[3-heptafluoropropylhydroxymethylene-camphorato)] has been investigated by the UV/vis-spectrophotometric, magnetic, and electrochemcial methods. The two or three energy absorption bands are observed by the spectra of these complexes. The magnitude of crystal field splitting energy, the spin pair energy and strength were obtained from the spectra of the complexes. These complexes are found to be delocalization, low-spin state, and strong bonding strenth of electron configuration. The magnetic dipolemoment are found to be diamagnetic. The redox reaction processes of complexes were investigated by cyclic voltammetry in aprotic solvent. The redox reaction processes of complexes are turned out to be single or double reaction with respect to one electron diffusion current.

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Initial oxidation of the alkali metal-adsorbed Si(111) surface (알칼리금속이 흡착된 Si(111)$7\times7$ 계의 초기 산화 과정 연구)

  • 황찬국;안기석;김정선;박래준;이득진;장현덕;박종윤;이순보
    • Journal of the Korean Vacuum Society
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    • v.6 no.2
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    • pp.159-164
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    • 1997
  • We have studied initial oxidation of the alkali metal(AM)/Si(111) surface using X-ray photoelectron spectroscopy(XPS) and reflection high energy electron diffraction(RHEED) at room temperature(RT) and high temperature(HT)(300~50$0^{\circ}C$). The oxidation of the Si(111)7$\times$7 surface was promoted by the adsorption of 1 momolayer(ML) AM, whereas no promotion occurred for submonolayer(<0.5 ML) adsorbed Si(111)7$\times$7 surface at RT. O Is core level spectra were measured with increasing oxygen exposure. It was found that the oxygen adsorbed on the Si(111)7$\times$7-AM surface have two different bond configuration, Si-O and Am-O, respectively. From these results, we discussed the role of AM-O bonding in the promoted oxidation. At HT(300~50$0^{\circ}C$), the AM-adsorbed surface became very inactive with the structural transformation to the 3$\times$1-AM. We present the results of the oxidation of the Si(111)3$\times$1-AM(Na, K, Cs) surface.

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Whole Mount Preparation of Primary Cultured Neuron for HVEM Observation (배양된 시경세포 관찰을 위한 초고압전자현미경 홀마운트 시료제작기법)

  • Kim, Hyun-Wook;Hong, Soon-Taek;Oh, Seung-Hak;Park, Chang-Hyun;Kim, Hyun;Rhyu, Im-Joo
    • Applied Microscopy
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    • v.41 no.1
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    • pp.69-73
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    • 2011
  • High-voltage electron microscope (HVEM) has higher resolution and penetration power than conventional transmission electron microscope that could be load thick specimen. Some researchers have taken this advantage of HVEM to explore 3-dimensional configuration of the biological structures including tissue and cells. Whole mount preparations has been employed to study some cell lines and primary culture cells. In this study, we would like to introduce useful whole mount preparation method for neuronal studies. The plastic coverslips were punched, covered by formvar membrane and coated with carbon. The neurons obtained embryonic 18 rat hippocampus were seeded on the prepared cover slip. The coverslips were fixed, dried in freeze drier and kept in a descicator until HVEM observation. We could observe detailed neuronal structures such as soma, dendrite and spine under HVEM without conventional thin section and heavy metal stain. The anaglyphic image based on stereo paired image ($-8^{\circ},+8^{\circ}$) provides three dimensional perception of the neuronal dendrites and their spines. This method could be applied to sophisticated analysis of dendritic spine under the various experimental conditions.

Oligomeric Structure of the ATP-dependent Protease La (Lon) of Escherichia coli

  • Park, Seong-Cheol;Jia, Baolei;Yang, Jae-Kyung;Le Van, Duyet;Shao, Yong Gi;Han, Sang Woo;Jeon, Young-Joo;Chung, Chin Ha;Cheong, Gang-Won
    • Molecules and Cells
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    • v.21 no.1
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    • pp.129-134
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    • 2006
  • Lon, also known as protease La, belongs to a class of ATP-dependent serine protease. It plays an essential role in degradation of abnormal proteins and of certain short-lived regulatory proteins, and is thought to possess a Ser-Lys catalytic dyad. To examine the structural organization of Lon, we performed an electron microscope analysis. The averaged images of Lon with end-on orientation revealed a six-membered, ring-shaped structure with a central cavity. The side-on view showed a two-layered structure with an equal distribution of mass across the equatorial plane of the complex. Since a Lon subunit possesses two large regions containing nucleotide binding and proteolytic domains, each layer of the Lon hexamer appears to consist of the side projections of one of the major domains arranged in a ring. Lon showed a strong tendency to form hexamers in the presence of $Mg^{2+}$, but dissociated into monomers and/or dimers in its absence. Moreover, $Mg^{2+}$-dependent hexamer formation was independent of ATP. These results indicate that Lon has a hexameric ring-shaped structure with a central cavity, and that the establishment of this configuration requires $Mg^{2+}$, but not ATP.

Electron Microscopy and Magnetic Properties of Tetra(n-butyl) ammonium salts of $[Ni(dmbit)_2]^1- (dmbit^2-:C_7H_2S_5$:2-thiobenzo[d]-1,3-dithiole-5,6-dithiolate;$dmbbip^{2-}:C_{12}H_{16}S_4$:1,2-bis(isopropylthio)benzene-4,5-dithiolat

  • No, Dong Yeon;Gang, Mi Jeong;Lee, Ha Jin;Kim, Jong Hyeon;Choe, Jin Ho
    • Bulletin of the Korean Chemical Society
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    • v.17 no.1
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    • pp.46-50
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    • 1996
  • Monoanionic nickel(Ⅲ) complexes, [Ni(dmbit)2]1- and [Ni(dmbbip)2]1- where dmbit2- and dmbbip2- denote 2-thiobenzo[d]-1,3-dithiole-5,6-dithiolate and 1,2-bis(isopropylthio)benzen-4,5-dithiolate, respectively, have been synthesized by the iodine oxidation of dianionic complexes. In the scanning electron microscopic(SEM) images, these complexes show the well-grown two-dimensional layered structures which are clearly comparable to the dianionic ones with three-dimensional structures. Magnetic susceptibilities of nickel(Ⅲ)complexes are fitted well with the two-dimensional Heisenberg antiferromagnet model of S=1/2 system resulting in the spin-exchange parameters (|J|/k) of 11.4 K and 0.45 K, respectively. The weaker magnetic interaction in [Ni(dmbbip)2]1- is resulted from the bulky isopropyl groups on the periphery of dmbbip ligand. EPR measurements for [Ni(dmbit)2]1- give the signal with axial symmetry and the anisotropic g-values for low-spin nickel(Ⅲ) (g//=2.158, g =2.030,gav=2.074 at 300 K; g//=2.162, g =2.038, gav=2.080 at 77 K). It is therefore concluded that nickel(Ⅱ) is oxidized to nickel(Ⅲ), rather than dmbit2- and dmbbip2- ligands are, by the iodine oxidation. The paramagnetic Ni(Ⅲ) would be located in the axial symmetry(D4h) with the electronic configuration of (dxz2dyz2dz22dxy1dx2-y20).

Impact of different agitation methods on smear layer cleaning of mesial canals with accentuated curvature

  • Abel Teves Cordova;Murilo Priori Alcalde;Michel Espinosa Klymus;Leonardo Rigoldi Bonjardim;Rodrigo Ricci Vivan;Marco Antonio Hungaro Duarte
    • Restorative Dentistry and Endodontics
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    • v.49 no.2
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    • pp.12.1-12.10
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    • 2024
  • Objectives: This study evaluated the impact of different methods of irrigant agitation on smear layer removal in the apical third of curved mesial canals of 3 dimensionally (D) printed mandibular molars. Materials and Methods: Sixty 3D-printed mandibular second molars were used, presenting a 70° curvature and a Vertucci type II configuration in the mesial root. A round cavity was cut 2 mm from the apex using a trephine of 2 mm in diameter, 60 bovine dentin disks were made, and a smear layer was formed. The dentin disks had the adaptation checked in the apical third of the teeth with wax. The dentin disks were evaluated in environmental scanning electron microscope before and after the following irrigant agitation methods: G1(PIK Ultrasonic Tip), G2 (Passive Ultrasonic Irrigation with Irrisonic- PUI), G3 (Easy Clean), G4 (HBW Ultrasonic Tip), G5 (Ultramint X Ultrasonic tip), and G6 (conventional irrigation-CI) (n = 10). All groups were irrigated with 2.5% sodium hypochlorite and 17% ethylenediaminetetraacetic acid. Results: All dentin disks were 100% covered by the smear layer before treatment, and all groups significantly reduced the percentage of the smear layer after treatment. After the irrigation protocols, the Ultra-X group showed the lowest coverage percentage, statistically differing from the conventional, PIK, and HBW groups (p < 0.05). There was no significant difference among Ultramint X, PUI-Irrisonic, and Easy Clean (p > 0.05). None of the agitation methods could remove the smear layer altogether. Conclusions: Ultramint X resulted in the most significant number of completely clean specimens.