Hyperfine Structure in the Rotational Spectrum of GaF: A
... The high-resolution pure rotational spectrum of GaF has been measured using a Balle–Flygare-type Fourier transform spectrometer. Improved nuclear quadrupolar coupling constants and rotational constants have been obtained along with the first reported fluorine spin–rotation constant for gallium fluor ...
... The high-resolution pure rotational spectrum of GaF has been measured using a Balle–Flygare-type Fourier transform spectrometer. Improved nuclear quadrupolar coupling constants and rotational constants have been obtained along with the first reported fluorine spin–rotation constant for gallium fluor ...
Reversible binding of sulfur dioxide to arylplatinum (II) and nickel (II
... one of the complexes was crystallographically studied. IR and Raman Spectra. IR spectra of 2a-f (in KBr pellets or in Nujol mulls between NaCl windows) show two strong absorption bands in the region 1231-1245 and 1053-1078 cm-l, respectively, which can be assigned to the asymmetric and symmetric S-0 ...
... one of the complexes was crystallographically studied. IR and Raman Spectra. IR spectra of 2a-f (in KBr pellets or in Nujol mulls between NaCl windows) show two strong absorption bands in the region 1231-1245 and 1053-1078 cm-l, respectively, which can be assigned to the asymmetric and symmetric S-0 ...
Interlayer coupling in Co/Si sandwich structures
... the electrons with an energy between 0.7 Ry and E f also show the main topology as the total density polarization in the middle of the Si spacer. The spin polarization in the Si spacer layers is carried by sp bands around E f . On the other hand, the polarization induced in the Si orbitals by the ma ...
... the electrons with an energy between 0.7 Ry and E f also show the main topology as the total density polarization in the middle of the Si spacer. The spin polarization in the Si spacer layers is carried by sp bands around E f . On the other hand, the polarization induced in the Si orbitals by the ma ...
Iridates - UCSB Physics
... A-site). On an xx-bond, the interaction is Sxi Sxj , etc. For this structure, the model (3) is identical to the Kitaev model. ...
... A-site). On an xx-bond, the interaction is Sxi Sxj , etc. For this structure, the model (3) is identical to the Kitaev model. ...
5 - www2
... vibrations. It is a relatively simple and inexpensive tool to study conformational (sub)states and conformational changes of proteins and other biomolecules. Conventional thermal light sources should be often replaced by high energy and monochromatic lasers in IR spectrometers. In addition, there ar ...
... vibrations. It is a relatively simple and inexpensive tool to study conformational (sub)states and conformational changes of proteins and other biomolecules. Conventional thermal light sources should be often replaced by high energy and monochromatic lasers in IR spectrometers. In addition, there ar ...
Infrared Spectroscopy (IR)
... IR spectra can be determined for solids, liquids, or gases. IR gas analysis is a common analytical tool for those involved in studies of atmospheric pollution. The only draw-back is that it is very expensive and delicate cells are needed. IR spectra of solids and liquids are usually obtained by diss ...
... IR spectra can be determined for solids, liquids, or gases. IR gas analysis is a common analytical tool for those involved in studies of atmospheric pollution. The only draw-back is that it is very expensive and delicate cells are needed. IR spectra of solids and liquids are usually obtained by diss ...
Size-Selective Hydrogenation of Olefins by Dendrimer
... the apparatus were sealed with silicone grease and checked for leaks before adding the substrate. The system was purged with H2 for 15 min. To verify that H2 was not consumed in the absence of substrate, the catalyst was stirred in solution over a known volume of H2. The H2 volume did not change ove ...
... the apparatus were sealed with silicone grease and checked for leaks before adding the substrate. The system was purged with H2 for 15 min. To verify that H2 was not consumed in the absence of substrate, the catalyst was stirred in solution over a known volume of H2. The H2 volume did not change ove ...
Insertion of Rhodium into the Carbon
... in one concerted step.37 Harris examined this type of 9' interC-S bonds of the substrate, is easily explained with this interaction theoretically and concluded that 4d metals can bind mediate since the methyl group in the 3-position does not interfere thiophene in this fashion more easily than 3d me ...
... in one concerted step.37 Harris examined this type of 9' interC-S bonds of the substrate, is easily explained with this interaction theoretically and concluded that 4d metals can bind mediate since the methyl group in the 3-position does not interfere thiophene in this fashion more easily than 3d me ...
Synthesis and crystal structure of
... little toluene are converted into the parallelepipeds. The analogous thallium compound shows the same allotropy [4,6,8]. The crystals of 1 are air-stable for some hours, and show no light sensitivity. However, there is some darkening of the crystals after some weeks even when they are stored in the ...
... little toluene are converted into the parallelepipeds. The analogous thallium compound shows the same allotropy [4,6,8]. The crystals of 1 are air-stable for some hours, and show no light sensitivity. However, there is some darkening of the crystals after some weeks even when they are stored in the ...
[HMIM][Br9]: a Room-temperature Ionic Liquid Based on a
... The samples of the investigated ILs were measured without lock substance. The field was adjusted to the sample of [HMIM][Br9 ], and the shims were not changed for the sample of [HMIM]Br, which shows broad signals anyway because of its high viscosity at room temperature. To make sure that the field d ...
... The samples of the investigated ILs were measured without lock substance. The field was adjusted to the sample of [HMIM][Br9 ], and the shims were not changed for the sample of [HMIM]Br, which shows broad signals anyway because of its high viscosity at room temperature. To make sure that the field d ...
Ligand Conformation Enforces Trigonal
... diamagnetic contributions, which were estimated from the Pascal constants. The electrochemical measurements were performed with an Autolab PGstat10 potentiostat controlled by GPES4 software. A three-electrode system was used, consisting of a platinum working electrode, a platinum auxiliary electrode ...
... diamagnetic contributions, which were estimated from the Pascal constants. The electrochemical measurements were performed with an Autolab PGstat10 potentiostat controlled by GPES4 software. A three-electrode system was used, consisting of a platinum working electrode, a platinum auxiliary electrode ...
Backbone and side chain assignment strategies for
... A.T. Petkova et al. / Journal of Magnetic Resonance 160 (2003) 1–12 ...
... A.T. Petkova et al. / Journal of Magnetic Resonance 160 (2003) 1–12 ...
Universal Long-Time Behavior of Nuclear Spin Decays in a Solid
... time scale T2 is on the order of a few inverse nearestneighbor coupling constants. Although the coupling constants in the Hamiltonian Eq. (2) can be very accurately determined from first principles, efforts over several decades [12,19–25] to predict the entire behavior of FIDs and spin echoes quanti ...
... time scale T2 is on the order of a few inverse nearestneighbor coupling constants. Although the coupling constants in the Hamiltonian Eq. (2) can be very accurately determined from first principles, efforts over several decades [12,19–25] to predict the entire behavior of FIDs and spin echoes quanti ...
Nonlinear Optical Methods to Study Condensed Phase
... We can characterize these dynamics by a quantity we call the peak shift or * (T) , the shift of the integrated echo signal maximum from 0 . This is most accurately measured by taking half the separation of the two echo signals in Figure 9 since they must be symmetric around 0 at all times. ...
... We can characterize these dynamics by a quantity we call the peak shift or * (T) , the shift of the integrated echo signal maximum from 0 . This is most accurately measured by taking half the separation of the two echo signals in Figure 9 since they must be symmetric around 0 at all times. ...
Acta Chim. Slov. 2000, 47, 179−185. 179 Co(II), Ni(II) and Cu(II
... at 17 300 and 9650 cm-1 ascribed to the transitions 3T1(F) →3T1(P) and 3T1(F) →3A2, can be notice. These transition are characteristic to the tetrahedral environment around the Ni2+ ion. The value of the magnetic moment, 3.52 BM, confirmed that structure. Using the method of Ballhausen7 we calculate ...
... at 17 300 and 9650 cm-1 ascribed to the transitions 3T1(F) →3T1(P) and 3T1(F) →3A2, can be notice. These transition are characteristic to the tetrahedral environment around the Ni2+ ion. The value of the magnetic moment, 3.52 BM, confirmed that structure. Using the method of Ballhausen7 we calculate ...
Cofacial Dicobalt Complex of a Binucleating Hexacarboxamide Cryptand Ligand DOI: 10.1021/ic100395a
... compound in solution, an indication of rigidity of the C3hsymmetric molecular framework on the NMR time scale. NMR studies also reveal the stability of 3 to water: overnight agitation in the presence of 14 equiv of water in a deuterated dimethyl sulfoxide (DMSO-d6) solution indicated no decompositio ...
... compound in solution, an indication of rigidity of the C3hsymmetric molecular framework on the NMR time scale. NMR studies also reveal the stability of 3 to water: overnight agitation in the presence of 14 equiv of water in a deuterated dimethyl sulfoxide (DMSO-d6) solution indicated no decompositio ...
Study of excited states of fluorinated copper phthalocyanine by inner
... inner shell excitation occurs in FCuPc thin film near the fluorine K-edge. The PIY spectrum of CF+ ion gives two maximum at hν = 692.5 and 695 eV. It indicates that C–C bond scission occurs effectively by the irradiation at these two photon energies. The energy position of the second peak in the PIY ...
... inner shell excitation occurs in FCuPc thin film near the fluorine K-edge. The PIY spectrum of CF+ ion gives two maximum at hν = 692.5 and 695 eV. It indicates that C–C bond scission occurs effectively by the irradiation at these two photon energies. The energy position of the second peak in the PIY ...
Formation of Phosphorus-Nitrogen Bonds by Reduction of a
... dinitrogen moiety coordinated to the dititanium core. In fact, the dinuclear metal complex has only the [NPN] bound but with one important change: the phosphine donor has been transformed into a phosphinimide unit.8 Formally, the [N(PN)N] ligand set (where [N(PN)N] ) (PhNSiMe2CH2)2P(dN)Ph) is a tria ...
... dinitrogen moiety coordinated to the dititanium core. In fact, the dinuclear metal complex has only the [NPN] bound but with one important change: the phosphine donor has been transformed into a phosphinimide unit.8 Formally, the [N(PN)N] ligand set (where [N(PN)N] ) (PhNSiMe2CH2)2P(dN)Ph) is a tria ...
Phys. Rev. Lett. 108, 246602
... dominance will be the case for a biased dot, too. On the other hand, in a single dot xd and yd induce comparable mixing, and Bso becomes minimal if the larger term (the one with yd ) is eliminated. Weakly coupled unbiased dot is in this respect similar to a single dot as the two-electron transitions ...
... dominance will be the case for a biased dot, too. On the other hand, in a single dot xd and yd induce comparable mixing, and Bso becomes minimal if the larger term (the one with yd ) is eliminated. Weakly coupled unbiased dot is in this respect similar to a single dot as the two-electron transitions ...
Synthesis and characterization of highly ordered functional
... 29Si MAS NMR data of samples a and b are shown in Table 1.§ The total amount of T species (T2 + T3) in samples a and b was 19.4% and 18.9%, respectively, somewhat less than the ATES amount in the starting sol (20%) but within the experimental error limits. 13C MAS NMR spectra of sample (b) consisted ...
... 29Si MAS NMR data of samples a and b are shown in Table 1.§ The total amount of T species (T2 + T3) in samples a and b was 19.4% and 18.9%, respectively, somewhat less than the ATES amount in the starting sol (20%) but within the experimental error limits. 13C MAS NMR spectra of sample (b) consisted ...
QM Chemical Shift Calculations to Infer on the Long
... then the calculation would return result consisting of the chemical shift values of all the protons. The chemical shift value of the methane protons would be different from the corresponding values isolated methane molecule due to the ring current contributions from the benzene molecule present. Eve ...
... then the calculation would return result consisting of the chemical shift values of all the protons. The chemical shift value of the methane protons would be different from the corresponding values isolated methane molecule due to the ring current contributions from the benzene molecule present. Eve ...
A Lead-Filled G-Quadruplex: Insight into the G
... HA-N7 pair also become shorter as the octamer cage shrinks. As described below, a more compact octamer correlates well with NMR data indicating that the N2 HA-N7 hydrogen bonds in (G 1)8-Pb2+ are kinetically more stable than in (G 1)8-K+. Solution NMR Studies. We used both 207Pb and 1H NMR to show t ...
... HA-N7 pair also become shorter as the octamer cage shrinks. As described below, a more compact octamer correlates well with NMR data indicating that the N2 HA-N7 hydrogen bonds in (G 1)8-Pb2+ are kinetically more stable than in (G 1)8-K+. Solution NMR Studies. We used both 207Pb and 1H NMR to show t ...
Chapter 3: Electronic Spectroscopy I
... In this approximation the electronic, vibrational and rotational energies are considered to be independent of each other, i.e. transitions between the different energy levels can occur independently. A change in the total energy of a molecule could then be written as ∆Etotal = ∆Eelectronic + ∆Evibra ...
... In this approximation the electronic, vibrational and rotational energies are considered to be independent of each other, i.e. transitions between the different energy levels can occur independently. A change in the total energy of a molecule could then be written as ∆Etotal = ∆Eelectronic + ∆Evibra ...
Enrichment of Germanium-73 with the Magnetic Isotope Effect
... and chemical reactions of spin systems, such as excited molecules and radical pairs, have been studied extensively and constitute a rapidly developing field encompassing chemistry, physics, and This is a new branch which may be called "(dynamic) spin chemistry". A radical pair is one of the most imp ...
... and chemical reactions of spin systems, such as excited molecules and radical pairs, have been studied extensively and constitute a rapidly developing field encompassing chemistry, physics, and This is a new branch which may be called "(dynamic) spin chemistry". A radical pair is one of the most imp ...
Nuclear magnetic resonance spectroscopy
Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy, is a research technique that exploits the magnetic properties of certain atomic nuclei. It determines the physical and chemical properties of atoms or the molecules in which they are contained. It relies on the phenomenon of nuclear magnetic resonance and can provide detailed information about the structure, dynamics, reaction state, and chemical environment of molecules. The intramolecular magnetic field around an atom in a molecule changes the resonance frequency, thus giving access to details of the electronic structure of a molecule.Most frequently, NMR spectroscopy is used by chemists and biochemists to investigate the properties of organic molecules, although it is applicable to any kind of sample that contains nuclei possessing spin. Suitable samples range from small compounds analyzed with 1-dimensional proton or carbon-13 NMR spectroscopy to large proteins or nucleic acids using 3 or 4-dimensional techniques. The impact of NMR spectroscopy on the sciences has been substantial because of the range of information and the diversity of samples, including solutions and solids.NMR spectra are unique, well-resolved, analytically tractable and often highly predictable for small molecules. Thus, in organic chemistry practice, NMR analysis is used to confirm the identity of a substance. Different functional groups are obviously distinguishable, and identical functional groups with differing neighboring substituents still give distinguishable signals. NMR has largely replaced traditional wet chemistry tests such as color reagents for identification. A disadvantage is that a relatively large amount, 2–50 mg, of a purified substance is required, although it may be recovered. Preferably, the sample should be dissolved in a solvent, because NMR analysis of solids requires a dedicated MAS machine and may not give equally well-resolved spectra. The timescale of NMR is relatively long, and thus it is not suitable for observing fast phenomena, producing only an averaged spectrum. Although large amounts of impurities do show on an NMR spectrum, better methods exist for detecting impurities, as NMR is inherently not very sensitive.NMR spectrometers are relatively expensive; universities usually have them, but they are less common in private companies. Modern NMR spectrometers have a very strong, large and expensive liquid helium-cooled superconducting magnet, because resolution directly depends on magnetic field strength. Less expensive machines using permanent magnets and lower resolution are also available, which still give sufficient performance for certain application such as reaction monitoring and quick checking of samples. There are even benchtop NMR spectrometers.