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Yoshikazu Suzumura - One of the best experts on this subject based on the ideXlab platform.
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first principles study of the effective hamiltonian for dirac fermions with spin orbit coupling in two dimensional Molecular Conductor alpha bets _2 hbox i _3
European Physical Journal B, 2021Co-Authors: Takao Tsumuraya, Yoshikazu SuzumuraAbstract:We employed first-principles density-functional theory (DFT) calculations to characterize Dirac electrons in quasi-two-dimensional Molecular Conductor $$\alpha $$ -(BETS) $$_2 \hbox {I}_3$$ [= $$\alpha $$ -(BEDT–TSeF) $$_2 \hbox {I}_3$$ ] at a low temperature of 30 K. We provide a tight-binding model with interMolecular transfer energies evaluated from maximally localized Wannier functions, where the number of relevant transfer integrals is relatively large due to the delocalized character of Se p orbitals. The spin–orbit coupling gives rise to an exotic insulating state with an indirect band gap of about 2 meV. We analyzed the energy spectrum with a Dirac cone close to the Fermi level to develop an effective Hamiltonian with site potentials, which reproduces the spectrum obtained by the DFT band structure.
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electronic structure of a single component Molecular Conductor pd dddt 2 dddt 5 6 dihydro 1 4 dithiin 2 3 dithiolate under high pressure
Journal of the Physical Society of Japan, 2020Co-Authors: Reizo Kato, Hengbo Cui, Takaaki Minamidate, Hamish H M Yeung, Yoshikazu SuzumuraAbstract:We examined the high-pressure electronic structure of a single-component Molecular Conductor [Pd(dddt)2] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) at room temperature, on the basis of the cry...
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electric transport of nodal line semimetal in single component Molecular Conductor
arXiv: Materials Science, 2020Co-Authors: Yoshikazu Suzumura, Reizo Kato, Masao OgataAbstract:We examine an effect of acoustic phonon scattering on an electric conductivity of single-component Molecular Conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) with a half-filled band by applying the previous calculation in a two-dimensional model with Dirac cone [Phys. Rev. B {\bf 98},161205 (2018)], where the electric transport by the impurity scattering exhibits the noticeable interplay of the Dirac cone and the phonon scattering,resulting in a maximum of the conductivity with increasing temperature. The Conductor shows a nodal line semimetal where the band crossing of HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) provides a loop of Dirac points located close to the Fermi energy followed by the density of states (DOS) similar to that of two-dimensional Dirac cone. Using a tight-binding (TB) model [arXiv:2008.09277], which was obtained using the crystal structure observed from a recent X ray diffraction experiment under pressure, it is shown that the obtained conductivity explains reasonably the anomalous behavior in [Pd(dddt)$_2$] exhibiting almost temperature independent resistivity at finite temperatures. This paper demonstrates a crucial role of the acoustic phonon scattering at finite temperatures in the electric conductivity of Dirac electrons. The present theoretical results of conductivity are compared with those of experiments.
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electronic structure of a single component Molecular Conductor pd dddt _2 dddt 5 6 dihydro 1 4 dithiin 2 3 dithiolate under high pressure
arXiv: Materials Science, 2020Co-Authors: Reizo Kato, Hengbo Cui, Takaaki Minamidate, Hamish H M Yeung, Yoshikazu SuzumuraAbstract:We examined high-pressure electronic structure of a single-component Molecular Conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) at room temperature, based on the crystal structure determined by single crystal synchrotron X-ray diffraction measurements at 5.9 GPa. The monoclinic unit cell contains four molecules that form two crystallographically independent Molecular layers. A tight-binding model of 8 $\times$ 8 matrix Hamiltonian gives an electronic structure as a Dirac electron system. The Dirac point describes a loop within the first Brillouin zone, and a nodal line semimetal is obtained. The noticeable property of the Dirac cone with a linear dispersion is shown by calculating density of states (DOS). The Dirac cone in this system is associated with the crossing of HOMO (highest occupied Molecular orbital) and LUMO (lowest unoccupied Molecular orbital) bands, which originates from the direct interaction between different Molecular layers. This is a newly found mechanism in addition to the indirect one [J. Phys. Soc. Jpn., {\bf 86}, 064705 (2017)]. The Dirac points emerge as a line, when the HOMO and LUMO bands meet on the surface and the HOMO-LUMO couplings are absent. Such a mechanism is verified using a reduced model of 4 $\times$ 4 matrix Hamiltonian. The deviation of the band energy ($\delta E$) at the Dirac point from the Fermi level is very small ($\delta E < $ 0.4meV). The nodal line is examined by calculating the parity of the occupied band eigen states at TRIM (Time Reversal Invariant Momentum) showing that the topological number is 1.
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role of velocity field and principal axis of tilted dirac cones in effective hamiltonian of non coplanar nodal loop
Journal of the Physical Society of Japan, 2019Co-Authors: Yoshikazu Suzumura, Takao Tsumuraya, Reizo Kato, Hiroyasu Matsuura, Masao OgataAbstract:A nodal line in a single-component Molecular Conductor [Pd(dddt)2] with a half-filled band has been examined to elucidate the properties of a Dirac cone on the non-coplanar loop. The velocity of th...
Reizo Kato - One of the best experts on this subject based on the ideXlab platform.
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electronic structure of a single component Molecular Conductor pd dddt 2 dddt 5 6 dihydro 1 4 dithiin 2 3 dithiolate under high pressure
Journal of the Physical Society of Japan, 2020Co-Authors: Reizo Kato, Hengbo Cui, Takaaki Minamidate, Hamish H M Yeung, Yoshikazu SuzumuraAbstract:We examined the high-pressure electronic structure of a single-component Molecular Conductor [Pd(dddt)2] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) at room temperature, on the basis of the cry...
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electric transport of nodal line semimetal in single component Molecular Conductor
arXiv: Materials Science, 2020Co-Authors: Yoshikazu Suzumura, Reizo Kato, Masao OgataAbstract:We examine an effect of acoustic phonon scattering on an electric conductivity of single-component Molecular Conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) with a half-filled band by applying the previous calculation in a two-dimensional model with Dirac cone [Phys. Rev. B {\bf 98},161205 (2018)], where the electric transport by the impurity scattering exhibits the noticeable interplay of the Dirac cone and the phonon scattering,resulting in a maximum of the conductivity with increasing temperature. The Conductor shows a nodal line semimetal where the band crossing of HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) provides a loop of Dirac points located close to the Fermi energy followed by the density of states (DOS) similar to that of two-dimensional Dirac cone. Using a tight-binding (TB) model [arXiv:2008.09277], which was obtained using the crystal structure observed from a recent X ray diffraction experiment under pressure, it is shown that the obtained conductivity explains reasonably the anomalous behavior in [Pd(dddt)$_2$] exhibiting almost temperature independent resistivity at finite temperatures. This paper demonstrates a crucial role of the acoustic phonon scattering at finite temperatures in the electric conductivity of Dirac electrons. The present theoretical results of conductivity are compared with those of experiments.
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electronic structure of a single component Molecular Conductor pd dddt _2 dddt 5 6 dihydro 1 4 dithiin 2 3 dithiolate under high pressure
arXiv: Materials Science, 2020Co-Authors: Reizo Kato, Hengbo Cui, Takaaki Minamidate, Hamish H M Yeung, Yoshikazu SuzumuraAbstract:We examined high-pressure electronic structure of a single-component Molecular Conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) at room temperature, based on the crystal structure determined by single crystal synchrotron X-ray diffraction measurements at 5.9 GPa. The monoclinic unit cell contains four molecules that form two crystallographically independent Molecular layers. A tight-binding model of 8 $\times$ 8 matrix Hamiltonian gives an electronic structure as a Dirac electron system. The Dirac point describes a loop within the first Brillouin zone, and a nodal line semimetal is obtained. The noticeable property of the Dirac cone with a linear dispersion is shown by calculating density of states (DOS). The Dirac cone in this system is associated with the crossing of HOMO (highest occupied Molecular orbital) and LUMO (lowest unoccupied Molecular orbital) bands, which originates from the direct interaction between different Molecular layers. This is a newly found mechanism in addition to the indirect one [J. Phys. Soc. Jpn., {\bf 86}, 064705 (2017)]. The Dirac points emerge as a line, when the HOMO and LUMO bands meet on the surface and the HOMO-LUMO couplings are absent. Such a mechanism is verified using a reduced model of 4 $\times$ 4 matrix Hamiltonian. The deviation of the band energy ($\delta E$) at the Dirac point from the Fermi level is very small ($\delta E < $ 0.4meV). The nodal line is examined by calculating the parity of the occupied band eigen states at TRIM (Time Reversal Invariant Momentum) showing that the topological number is 1.
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role of velocity field and principal axis of tilted dirac cones in effective hamiltonian of non coplanar nodal loop
Journal of the Physical Society of Japan, 2019Co-Authors: Yoshikazu Suzumura, Takao Tsumuraya, Reizo Kato, Hiroyasu Matsuura, Masao OgataAbstract:A nodal line in a single-component Molecular Conductor [Pd(dddt)2] with a half-filled band has been examined to elucidate the properties of a Dirac cone on the non-coplanar loop. The velocity of th...
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effective hamiltonian of topological nodal line semimetal in single component Molecular Conductor pd dddt 2 from first principles
Journal of the Physical Society of Japan, 2018Co-Authors: Takao Tsumuraya, Reizo Kato, Yoshikazu SuzumuraAbstract:Using first-principles density-functional theory calculations, we obtain the non-coplanar nodal loop for a single-component Molecular Conductor [Pd(dddt)2] consisting of HOMO and LUMO with differen...
Mikhail E Itkis - One of the best experts on this subject based on the ideXlab platform.
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effect of substitution on the hysteretic phase transition in a bistable phenalenyl based neutral radical Molecular Conductor
Chemistry: A European Journal, 2019Co-Authors: Dejan Stekovic, Pradip Bag, Pritam Shankhari, Boniface P T Fokwa, Mikhail E ItkisAbstract:The ability to tune the physical properties of bistable organic functional materials by means of chemistry can facilitate their development for Molecular electronic switching components. The butylamine-containing biphenalenyl boron neutral radical, [Bu]2 B, crystalline compound has recently attracted significant attention by displaying a hysteretic phase transition accompanied by simultaneous bistability in magnetic, electrical, and optical properties close to room temperature. In this report, substitutional doping was applied to [Bu]2 B by crystallizing solid solutions of bistable [Bu]2 B and its non-radical-containing counterpart [Bu]2 Be. With increasing doping degree, the hysteretic phase transition is gradually suppressed in terms of reducing the height, but conserves the width of the hysteresis loop as observed through magnetic susceptibility and electrical conductivity measurements. At the critical doping level of about 6 %, the abrupt transformation of the crystal structure to that of the pure [Bu]2 Be crystal packing was observed, accompanied by a complete collapse of the hysteresis loop. Further study of the structure-properties relationships of bistable neutral radical Conductors based on the [Bu]2 B host can be conducted utilizing a variety of biphenalenyl-based Molecular Conductors.
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synthesis structure and solid state properties of cyclohexanemethylamine substituted phenalenyl based Molecular Conductor
Crystals, 2012Co-Authors: Pradip Bag, Sushanta K Pal, Mikhail E Itkis, Bruno Donnadieu, Elena Bekyarova, R C HaddonAbstract:We report the preparation, crystallization and solid state characterization of a cyclohexanemethylamine substituted spirobiphenalenyl radical; in the solid state the compound is iso-structural with its dehydro-analog (benzylamine-substitued compound), and the molecules packed in a one-dimensional fashion that we refer to as a π-step stack. Neighboring molecules in the stack interact via the overlap of one pair of active (spin bearing) carbon atoms per phenalenyl unit. The magnetic susceptibility measurement indicates that in the solid state the radical remains paramagnetic and the fraction of Curie spins is 0.75 per molecule. We use the analytical form of the Bonner-Fisher model for the S = 1/2 antiferromagnetic Heisenberg chain of isotropically interacting spins with intrachain spin coupling constant J = 6.3 cm−1, to fit the experimentally observed paramagnetism [χp (T)] in the temperature range 4–330 K. The measured room temperature conductivity (σRT = 2.4 × 10–3 S/cm) is comparable with that of the iso-structural benzyl radical, even though the calculated band dispersions are smaller than that of the unsaturated analog.
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synthesis structure and physical properties of a partial π stacked phenalenyl based neutral radical Molecular Conductor
Chemistry: A European Journal, 2011Co-Authors: Arindam Sarkar, Mikhail E Itkis, Fook S Tham, Robert C HaddonAbstract:We report the synthesis, crystallization, and solid-state characterization of the 3,7-ethoxy-substituted spirobiphenalenyl-boron neutral radical 22. The radical is distinguished by its low disproportionation energy and one-dimensional structure. We show that our strategy of substitution of OEt group at the active positions of the phenalenyl units changes the crystal packing from its previously known OMe analogue and the solid-state properties are dictated by the partial π-stack structure and the oxygen atoms at the 3,7-positions and can be best rationalized in terms of the resonating valence bond model. Magnetic susceptibility measurements show that in the solid state the radical remains paramagnetic but there is significant spin–spin interaction between the molecules. Band structure calculations reflect efficient overlap between the molecules along the π stack and show evidence of interactions between the spin-bearing oxygen atoms. The room temperature electrical conductivity (σRT=2.0×10−2 S cm−1) of 22 is higher than that observed in previously known one-dimensional phenalenyl radicals.
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hysteretic spin and charge delocalization in a phenalenyl based Molecular Conductor
Journal of the American Chemical Society, 2010Co-Authors: Sushanta K Pal, Mikhail E Itkis, Fook S Tham, Arindam Sarkar, Bruno Donnadieu, Pradip Bag, Xiaoliu Chi, R C HaddonAbstract:We have investigated the solid-state electronic structure and properties of a phenalenyl-based butyl-substituted neutral radical, 3, that shows a hysteretic phase transition just above room temperature. We quantitatively analyzed the electron density distribution of this radical throughout both branches of the hysteretic phase transition using solid-state X-ray structures and found two distinct electronic states in the hysteresis loop that accompanies the phase transition. The bistability of the two electronic states was observed through a number of measurements, including IR transmittance spectra of single crystals in the vicinity of the phase transition. By comparing the changes in the crystal structures of 3 and the related ethyl-substituted radical 1 (which exhibits no hysteresis) at various temperatures, we show that the change in the interplanar π-π distance within dimers is the most important structural parameter in determining the physical properties of the radicals. The large change in the C-H···π interaction in 3 occurs in concert with the spin redistribution during the phase transition, but these factors are not responsible for the hysteresis effect. We suggest that the presence of a high-temperature state inside the hysteretic loop during the cooling cycle is due to thermodynamic stability, while the existence of the low-temperature state during the heating cycle is due to the presence of a large energy barrier between the two states (estimated to be greater than 100 kJ/mol) that results from the large-amplitude motion of the phenalenyl rings and the associated lattice reorganization energy that is required at the phase transition.
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methoxy substituted phenalenyl based neutral radical Molecular Conductor
Chemistry of Materials, 2009Co-Authors: Arindam Sarkar, Sushanta K Pal, Mikhail E Itkis, Fook S Tham, Puhong Liao, Bruno Donnadieu, Robert C HaddonAbstract:We report the synthesis, crystallization, and solid-state characterization of spiro-bis(3,7-dimethoxy-1,9-dioxophenalenyl) boron neutral radical 17; the radical is distinguished by its oxygen functionalization and we show that our strategy of oxygen substitution at the active positions of the phenalenyl units reduces the electrochemical disproportionation potential. The crystal structure shows that the radical exists as a π-dimer at room temperature and a one-dimensional (1D) π-chain of alternating superimposed and partially superimposed phenalenyl units at 100 K. Magnetic susceptibility measurements show that in the solid state, the radical remains paramagnetic but there is significant spin−spin interaction between the molecules along the π-chains. Band structure calculations delineate the response of the electronic structure to the structural changes observed in the crystal lattice, although magnetic and conductivity measurements do not show any sign of a phase transition. The room temperature electrica...
Akiko Kobayashi - One of the best experts on this subject based on the ideXlab platform.
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tight binding model and electronic property of dirac nodal line in single component Molecular Conductor pt dmdt _ 2
arXiv: Mesoscale and Nanoscale Physics, 2020Co-Authors: Taiki Kawamura, Biao Zhou, Akiko Kobayashi, Daigo Ohki, Akito KobayashiAbstract:Motivated by the recent discovery of Dirac nodal line in the single-component Molecular Conductor [Pt(dmdt)$_{2}$], we propose a three-orbital tight-binding model based on the Wannier fitting of the first-principles calculation, and address the problems of edge states, topological properties and magnetic susceptibility. We find that logarithmic peaks of the local density of states emerge near the Fermi energy, owing to pseudo-one-dimensional edge states that appear between the Dirac nodal lines. Magnetic susceptibility calculated in our model can explain the experimental result at a high temperature. In the presence of a realistic spin-orbit coupling, we show that [Pt(dmdt)$_{2}$] is a topological nodal line semimetal with isolated electron and hole pockets.
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tight binding model and electronic property of dirac nodal line in single component Molecular Conductor pt dmdt 2
Journal of the Physical Society of Japan, 2020Co-Authors: Taiki Kawamura, Biao Zhou, Akiko Kobayashi, Daigo Ohki, Akito KobayashiAbstract:Motivated by the recent discovery of Dirac nodal line in the single-component Molecular Conductor [Pt(dmdt)2], we propose a three-orbital tight-binding model based on the Wannier fitting of the fir...
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single component Molecular Conductor pt dmdt 2 a three dimensional ambient pressure Molecular dirac electron system
Chemical Communications, 2019Co-Authors: Biao Zhou, Eiji Nishibori, Shoji Ishibashi, Tatsuru Ishii, Takahiko Sekine, Ryosuke Takehara, Kazuya Miyagawa, Kazushi Kanoda, Akiko KobayashiAbstract:The single-component Molecular Conductor [Pt(dmdt)2] is a sought-after ambient-pressure Molecular Dirac electron system, which exhibits a high temperature-insensitive conductivity and temperature-dependent magnetic susceptibility nearly vanishing below 120 K. First-principles DFT calculations reveal that Dirac cones emerge along the a* direction, and form Dirac nodal lines.
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antiferromagnetic ordering in the single component Molecular Conductor pd tmdt 2
Inorganic Chemistry, 2016Co-Authors: Satomi Ogura, Biao Zhou, Yuki Idobata, Akiko Kobayashi, Eiji Nishibori, Kazuya Miyagawa, Kazushi Kanoda, Rina Takagi, Hidetaka Kasai, Chikatoshi SatokoAbstract:Crystals of [Pd(tmdt)2] (tmdt = trimethylenetetrathiafulvalenedithiolate) were prepared in order to investigate their physical properties. The electrical resistivity of [Pd(tmdt)2] was measured on single crystals using two-probe methods and showed that the room-temperature conductivity was 100 S·cm–1. The resistivity behaviors implied that [Pd(tmdt)2] was a semimetal at approximately room temperature and became narrow-gap semiconducting as the temperature was decreased to the lowest temperature. X-ray structural studies on small single crystals of [Pd(tmdt)2] at temperatures of 20–300 K performed using synchrotron radiation at SPring-8 showed no distinct structural change over this temperature region. However, small anomalies were observed at approximately 100 K. Electron spin resonance (ESR) spectra were measured over the temperature range of 2.7–301 K. The ESR intensity increased as the temperature decreased to 100 K and then decreased linearly as the temperature was further decreased to 50 K, where an ...
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a single component Molecular Conductor with metal metal bonding pd hfdt 2 hfdt bis trifluoromethyl tetrathiafulvalenedithiolate
Chemistry Letters, 2016Co-Authors: Biao Zhou, Eiji Nishibori, Satomi Ogura, Hidetaka Kasai, Qi Zhi Liu, Akiko KobayashiAbstract:A new single-component palladium complex, [Pd(hfdt)2] (hfdt: bis(trifluoromethyl)tetrathiafulvalenedithiolate), was prepared. Single-crystal structure analysis showed that [Pd(hfdt)2] is a rare cas...
Robert C Haddon - One of the best experts on this subject based on the ideXlab platform.
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synthesis structure and physical properties of a partial π stacked phenalenyl based neutral radical Molecular Conductor
Chemistry: A European Journal, 2011Co-Authors: Arindam Sarkar, Mikhail E Itkis, Fook S Tham, Robert C HaddonAbstract:We report the synthesis, crystallization, and solid-state characterization of the 3,7-ethoxy-substituted spirobiphenalenyl-boron neutral radical 22. The radical is distinguished by its low disproportionation energy and one-dimensional structure. We show that our strategy of substitution of OEt group at the active positions of the phenalenyl units changes the crystal packing from its previously known OMe analogue and the solid-state properties are dictated by the partial π-stack structure and the oxygen atoms at the 3,7-positions and can be best rationalized in terms of the resonating valence bond model. Magnetic susceptibility measurements show that in the solid state the radical remains paramagnetic but there is significant spin–spin interaction between the molecules. Band structure calculations reflect efficient overlap between the molecules along the π stack and show evidence of interactions between the spin-bearing oxygen atoms. The room temperature electrical conductivity (σRT=2.0×10−2 S cm−1) of 22 is higher than that observed in previously known one-dimensional phenalenyl radicals.
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methoxy substituted phenalenyl based neutral radical Molecular Conductor
Chemistry of Materials, 2009Co-Authors: Arindam Sarkar, Sushanta K Pal, Mikhail E Itkis, Fook S Tham, Puhong Liao, Bruno Donnadieu, Robert C HaddonAbstract:We report the synthesis, crystallization, and solid-state characterization of spiro-bis(3,7-dimethoxy-1,9-dioxophenalenyl) boron neutral radical 17; the radical is distinguished by its oxygen functionalization and we show that our strategy of oxygen substitution at the active positions of the phenalenyl units reduces the electrochemical disproportionation potential. The crystal structure shows that the radical exists as a π-dimer at room temperature and a one-dimensional (1D) π-chain of alternating superimposed and partially superimposed phenalenyl units at 100 K. Magnetic susceptibility measurements show that in the solid state, the radical remains paramagnetic but there is significant spin−spin interaction between the molecules along the π-chains. Band structure calculations delineate the response of the electronic structure to the structural changes observed in the crystal lattice, although magnetic and conductivity measurements do not show any sign of a phase transition. The room temperature electrica...
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trisphenalenyl based neutral radical Molecular Conductor
Journal of the American Chemical Society, 2008Co-Authors: Sushanta K Pal, Mikhail E Itkis, Fook S Tham, Robert W Reed, Richard T Oakley, Robert C HaddonAbstract:We report the preparation, crystallization, and solid-state characterization of the first member of a new family of tris(1,9-disubstituted phenalenyl)silicon neutral radicals. In the solid state, the radical packs as weak partial π-dimers with interMolecular carbon···carbon contacts that fall at the van der Waals atomic separation. Magnetic susceptibility measurements indicate ∼0.7 Curie spins per molecule from room temperature down to 50 K, below which antiferromagnetic coupling becomes apparent; the compound has a room-temperature single-crystal conductivity of σRT = 2.4 × 10-6 S cm-1.
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synthesis structure and physical properties of the first one dimensional phenalenyl based neutral radical Molecular Conductor
Journal of the American Chemical Society, 2004Co-Authors: Sushanta K Pal, Mikhail E Itkis, Fook S Tham, Robert W Reed, Richard T Oakley, A W Cordes, T Siegrist, Robert C HaddonAbstract:We report the preparation, crystallization, and solid-state characterization of a benzyl-substituted spirobiphenalenyl radical. The crystal structure shows that the radical is monomeric in the solid state, with the molecules packed in an unusual one-dimensional (1-D) fashion that we refer to as a π-step stack. This particular mode of 1-D stacking is forced on the lattice arrangement by the presence of the orthogonal phenalenyl units that were specifically incorporated to prevent the crystallization of low-dimensional structures. The structure shows that this strategy is effective, and neighboring molecules in the stack can only interact via the overlap of one pair of active (spin-bearing) carbon atoms per phenalenyl unit, leading to the π-step structure in which the remaining four active carbon atoms per phenalenyl unit do not interact with nearest neighbor molecules. The magnetic susceptibility data in the temperature range 4−360 K may be fit to an antiferromagnetic Heisenberg S = 1/2 linear chain model ...
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the first phenalenyl based neutral radical Molecular Conductor
Journal of the American Chemical Society, 1999Co-Authors: Xiuling Chi, Mikhail E Itkis, Robert W Reed, Richard T Oakley, Brian O Patrick, Tosha M Barclay, A W Cordes, Robert C HaddonAbstract:We report the preparation, crystallization, and solid-state characterization of a spiro-biphenalenyl radical. The crystal structure shows that the radical is monomeric in the solid state and withou...