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... Nuclei contain positive protons and uncharged neutrons. The number of protons is the atomic number (Z) of an element. Electrostatic attractive force: Electrons are attracted to Nucleus The attractive strong interaction between protons and neutrons is opposed by electrostatic repulsion between proton ...
... Nuclei contain positive protons and uncharged neutrons. The number of protons is the atomic number (Z) of an element. Electrostatic attractive force: Electrons are attracted to Nucleus The attractive strong interaction between protons and neutrons is opposed by electrostatic repulsion between proton ...
- TDDFT.org
... to date the most reliable and versatile approach to calculate optical response functions. Such ab initio calculations of optical spectra have been performed on a very high level of accuracy for many materials, and it is acknowledged that an excellent qualitative and quantitative agreement with exper ...
... to date the most reliable and versatile approach to calculate optical response functions. Such ab initio calculations of optical spectra have been performed on a very high level of accuracy for many materials, and it is acknowledged that an excellent qualitative and quantitative agreement with exper ...
The Influence of N7 Guanine Modifications on the Strength of
... which the effects of metal binding on base-pairing and acidbase properties are of primary interest. For example, deprotonation of N1 guanine position entirely changes its H-bonding properties and allows formation of triple-bonded guanine selfpairs. As part of the ongoing research in the field, the g ...
... which the effects of metal binding on base-pairing and acidbase properties are of primary interest. For example, deprotonation of N1 guanine position entirely changes its H-bonding properties and allows formation of triple-bonded guanine selfpairs. As part of the ongoing research in the field, the g ...
4-methoxy phenol
... called diazene), HN=NH, in which the two hydrogen atoms can be replaced with aliphatic or aromatic groups [2]. The name azo refers to the N=N and is taken from the French name for nitrogen, which is azote. The original word itself is from Greek ...
... called diazene), HN=NH, in which the two hydrogen atoms can be replaced with aliphatic or aromatic groups [2]. The name azo refers to the N=N and is taken from the French name for nitrogen, which is azote. The original word itself is from Greek ...
The OLED Emitter Ir(btp)2(acac)
... The complex was investigated by use of site-selective excitation and emission spectroscopy in a CH2 Cl2 matrix at cryogenic temperatures. Measurements under variation of temperature and magnetic field strength as well as time resolved and emission decay time measurements were applied to characterize ...
... The complex was investigated by use of site-selective excitation and emission spectroscopy in a CH2 Cl2 matrix at cryogenic temperatures. Measurements under variation of temperature and magnetic field strength as well as time resolved and emission decay time measurements were applied to characterize ...
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... addressed possible mechanisms for N2 loss from organoazide complexes.22 Hillhouse recently described the isolation of a nickel-organoazide complex that loses N2 to form an imidonickel complex upon warming.17b In this contribution, evidence is presented for the formation of a transient formally iron( ...
... addressed possible mechanisms for N2 loss from organoazide complexes.22 Hillhouse recently described the isolation of a nickel-organoazide complex that loses N2 to form an imidonickel complex upon warming.17b In this contribution, evidence is presented for the formation of a transient formally iron( ...
HALOCOBALOXIMES CONTAINING COORDINATED PYRAZINE
... show an absorption around 260 nm , which may be attributed to π π * transition of the pyrazine ring. This absorption band remains unchanged in their complexes. The band around 245 nm may be due to n π * of Pz , PzCA and PzAM .A shoulder around 330 nm may by due to the ligand to metal charge transfer ...
... show an absorption around 260 nm , which may be attributed to π π * transition of the pyrazine ring. This absorption band remains unchanged in their complexes. The band around 245 nm may be due to n π * of Pz , PzCA and PzAM .A shoulder around 330 nm may by due to the ligand to metal charge transfer ...
Metal Fluorides: Tools for Structural and Computational Analysis of
... Aspartyl phosphates are intermediates in many enzyme reactions, with a half-life for spontaneous hydrolysis from 23 s to a few hours [26]. Aspartyl trifluoroberyllates are stable and available for analysis by 19F NMR and protein crystallography. They are tetrahedral, ground state mimics of an aspart ...
... Aspartyl phosphates are intermediates in many enzyme reactions, with a half-life for spontaneous hydrolysis from 23 s to a few hours [26]. Aspartyl trifluoroberyllates are stable and available for analysis by 19F NMR and protein crystallography. They are tetrahedral, ground state mimics of an aspart ...
A Tungsten(VI) Nitride Having a W ( Core µ
... The nitride reacts cleanly with TMSOTf in pentane over a period of 2 days at 23 °C to give the trimethylsilylimido species shown in eq 5. The imido complex can be isolated as brilliant red needles from pentane. 1H NMR spectra are consistent with the structure drawn in eq 5. The methylene protons of ...
... The nitride reacts cleanly with TMSOTf in pentane over a period of 2 days at 23 °C to give the trimethylsilylimido species shown in eq 5. The imido complex can be isolated as brilliant red needles from pentane. 1H NMR spectra are consistent with the structure drawn in eq 5. The methylene protons of ...
Characterization of Low Energy Charge Transfer Transitions in
... nuclear coordinates, and the distortions at its potential energy (PE) minimum can sometimes be inferred from resonanceRaman (rR) spectra.15 The 1MLCTf3MLCT intersystem crossing often falls into the subps regime for transition metal complexes,6 so that the lowest energy excited states tend to be res ...
... nuclear coordinates, and the distortions at its potential energy (PE) minimum can sometimes be inferred from resonanceRaman (rR) spectra.15 The 1MLCTf3MLCT intersystem crossing often falls into the subps regime for transition metal complexes,6 so that the lowest energy excited states tend to be res ...
Synthesis and Spectroscopic Characterization of
... be modified by attaching different substituents to the ligand, which provides a useful range of steric and electronic properties essential for the fine-tuning of structure and reactivity. The ligands feature 2 covalent and 2 coordinate covalent sites situated in a planar array. This makes the ligands i ...
... be modified by attaching different substituents to the ligand, which provides a useful range of steric and electronic properties essential for the fine-tuning of structure and reactivity. The ligands feature 2 covalent and 2 coordinate covalent sites situated in a planar array. This makes the ligands i ...
Durham Research Online
... weakly basic, π-accepting ligands are employed. For example, the rate of formation of ethane from [PdMe2(PR3)2] via reductive elimination has been found to be faster on using PCl3 compared with use of PMe3, something attributed to the destabilisation of the initial dimethyl phosphine complex.13 An a ...
... weakly basic, π-accepting ligands are employed. For example, the rate of formation of ethane from [PdMe2(PR3)2] via reductive elimination has been found to be faster on using PCl3 compared with use of PMe3, something attributed to the destabilisation of the initial dimethyl phosphine complex.13 An a ...
Stabilization and Reactivity of Low Oxidation State Indium Compounds
... triflate, InOTf). This salt is significantly more stable than its halide counterparts, however it is sometimes too inert and does not react at all. It has been previously reported that the addition of crown ether ligands increase the reactivity of the metal centre and can cause oxidative addition in ...
... triflate, InOTf). This salt is significantly more stable than its halide counterparts, however it is sometimes too inert and does not react at all. It has been previously reported that the addition of crown ether ligands increase the reactivity of the metal centre and can cause oxidative addition in ...
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... Spin-transition compounds exhibit a transition between a diamagnetic low-spin state and a paramagnetic high-spin state. These compounds have potential applications in optical switching, information storage and -display, as well as in temperature and pressure sensors. ...
... Spin-transition compounds exhibit a transition between a diamagnetic low-spin state and a paramagnetic high-spin state. These compounds have potential applications in optical switching, information storage and -display, as well as in temperature and pressure sensors. ...
Structure and binding of Mg(II) ions and di-metal bridge
... geometry of hydrated Mg2+ are observed. In most cases, H2O ligand substitution of hexa-hydrated Mg2+ ion with another biological ligand causes the remaining H2O ligands to bind less tightly (Table 1). The elongation of water coordination distances caused by biological ligand binding is correlated wi ...
... geometry of hydrated Mg2+ are observed. In most cases, H2O ligand substitution of hexa-hydrated Mg2+ ion with another biological ligand causes the remaining H2O ligands to bind less tightly (Table 1). The elongation of water coordination distances caused by biological ligand binding is correlated wi ...
Calixarene Complexes with Transition Metal, Lanthanide and
... towards Pb2+ ion, whose size is similar to that of Ag+.27,28 In order to obtain calixarene based ion-selective electrodes sensitive to soft heavy metal ions such as Ag+, Pb2+ and Hg2+, calixarene should be functionalized with groups containing nitrogen and sulphur atoms; in this case, the binding of ...
... towards Pb2+ ion, whose size is similar to that of Ag+.27,28 In order to obtain calixarene based ion-selective electrodes sensitive to soft heavy metal ions such as Ag+, Pb2+ and Hg2+, calixarene should be functionalized with groups containing nitrogen and sulphur atoms; in this case, the binding of ...
Reaction of Nitrogen Chelates with the [Rh2]4+ Core: Bis
... chelates as ligands. Treatment of Rh2(O2CR)4(MeOH)2 (R ) Me (1), Et (2), Ph (3) or CF3 (4)) with 2 equiv of 2,2′-bipyridine (bpy) in refluxing MeCN leads to the [Rh2(O2CR)2(bpy)2]2+ cation (in complexes 5-9). Reaction of 1 with 1,10-phenanthroline (phen), 4,4′-dimethyl-2,2′-bipyridine (Me2bpy), 4,4′ ...
... chelates as ligands. Treatment of Rh2(O2CR)4(MeOH)2 (R ) Me (1), Et (2), Ph (3) or CF3 (4)) with 2 equiv of 2,2′-bipyridine (bpy) in refluxing MeCN leads to the [Rh2(O2CR)2(bpy)2]2+ cation (in complexes 5-9). Reaction of 1 with 1,10-phenanthroline (phen), 4,4′-dimethyl-2,2′-bipyridine (Me2bpy), 4,4′ ...
A modular approach to neutral P,N
... reagents on a multigram scale. Notably, relatively small changes in the ligand backbone, i.e., C/N-exchange or increasing the chelate ring size, have a significant impact on the ligand geometry and its coordination properties. Thus, complexes of L1 with rhodium, iridium and palladium form planar che ...
... reagents on a multigram scale. Notably, relatively small changes in the ligand backbone, i.e., C/N-exchange or increasing the chelate ring size, have a significant impact on the ligand geometry and its coordination properties. Thus, complexes of L1 with rhodium, iridium and palladium form planar che ...
NOVEL IRON(II) TRIAZOLE-PYRIDINE BASED DINUCLEAR COMPLEXES: SYNTHESIS, CHARACTERIZATION AND MAGNETIC PROPERTIES
... steric hindrance in the complexes and decrease the ligand field strength. As a result, the influence of the methyl group may induce SCO in low spin (LS) complexes, or tune the SCO properties (such as transition hysteresis or transition temperature) in complexes with SCO. Ligands were divided into th ...
... steric hindrance in the complexes and decrease the ligand field strength. As a result, the influence of the methyl group may induce SCO in low spin (LS) complexes, or tune the SCO properties (such as transition hysteresis or transition temperature) in complexes with SCO. Ligands were divided into th ...
Teaching with CAChe - Photochemical Dynamics Group
... began when we found unpredicted results; the results often pointed out our own misconceptions about the underlying chemistry. Presently, we site license CAChe software. The site license has made CAChe accessible to faculty and students; CAChe is available on all department and campus computer lab ma ...
... began when we found unpredicted results; the results often pointed out our own misconceptions about the underlying chemistry. Presently, we site license CAChe software. The site license has made CAChe accessible to faculty and students; CAChe is available on all department and campus computer lab ma ...
CHM 111 Introductory Inorganic Chemistry
... It is therefore quite natural that you should begin your study of inorganic chemistry with the study of the periodic table. In this unit, you will be starting from the very beginning, that is, with the very first attempt made at classification of the elements. By the mid-19th century, more than 60 e ...
... It is therefore quite natural that you should begin your study of inorganic chemistry with the study of the periodic table. In this unit, you will be starting from the very beginning, that is, with the very first attempt made at classification of the elements. By the mid-19th century, more than 60 e ...
Jahn–Teller effect
The Jahn–Teller effect, sometimes also known as Jahn–Teller distortion, describes the geometrical distortion of molecules and ions that is associated with certain electron configurations. This electronic effect is named after Hermann Arthur Jahn and Edward Teller, who proved, using group theory, that orbital nonlinear spatially degenerate molecules cannot be stable. The Jahn–Teller theorem essentially states that any nonlinear molecule with a spatially degenerate electronic ground state will undergo a geometrical distortion that removes that degeneracy, because the distortion lowers the overall energy of the species. For a description of another type of geometrical distortion that occurs in crystals with substitutional impurities see article off-center ions.