Electron-scattering cross sections for 1
... formula are taken directly; therefore, the TCS values presented in this work are in absolute scale. The statistical uncertainties (one standard deviation of the weighted mean value) of the TCS values are about 2% below 2 eV, while they do not exceed 1% over the whole remaining range of the electroni ...
... formula are taken directly; therefore, the TCS values presented in this work are in absolute scale. The statistical uncertainties (one standard deviation of the weighted mean value) of the TCS values are about 2% below 2 eV, while they do not exceed 1% over the whole remaining range of the electroni ...
ammonia clusters - Department of Chemistry
... calculations by Yoshida et al.25 and by Bauschlicher et al.13 predict origins at 38 150 and 39 150 cm⫺1, respectively. The weaker band we observe at 28 500 cm⫺1 also agrees in intensity and position with the observations of Yoshida et al. and is within 1700 cm⫺1 of the predictions of both sets of ab ...
... calculations by Yoshida et al.25 and by Bauschlicher et al.13 predict origins at 38 150 and 39 150 cm⫺1, respectively. The weaker band we observe at 28 500 cm⫺1 also agrees in intensity and position with the observations of Yoshida et al. and is within 1700 cm⫺1 of the predictions of both sets of ab ...
Proton affinities of candidates for positively charged ambient ions in
... to the PA value listed in NIST. In the case of ammonia, all results were compared with the PA determined by Czakó et al. (2008). This PA is the result of very high-level quantum chemical calculations. Due to the structural simplicity of the ammonia molecule, quantum chemical calculations can be expe ...
... to the PA value listed in NIST. In the case of ammonia, all results were compared with the PA determined by Czakó et al. (2008). This PA is the result of very high-level quantum chemical calculations. Due to the structural simplicity of the ammonia molecule, quantum chemical calculations can be expe ...
Controlling Chemical Reactions by Short, Intense Mid
... plane. Interestingly, for in-plane directions the yield is about 65% greater when the polarization is aligned with the C−Cl bond compared to perpendicular to the bond. Therefore, ionization with linearly polarized light should result in appreciable alignment of the cation. This also suggests that a ...
... plane. Interestingly, for in-plane directions the yield is about 65% greater when the polarization is aligned with the C−Cl bond compared to perpendicular to the bond. Therefore, ionization with linearly polarized light should result in appreciable alignment of the cation. This also suggests that a ...
Optical trapping of ultracold dysprosium atoms: transition
... electric fields, either in highly-excited, so-called Rydberg atoms [20–29], or in heteronuclear alkali-metal diatomic molecules [30–34]. Some of them have been recently produced in their lowest rovibrational and even hyperfine level, i.e.LiCs [35], KRb [36–38], RbCs [39, 40], NaK [41] and NaRb [42]. ...
... electric fields, either in highly-excited, so-called Rydberg atoms [20–29], or in heteronuclear alkali-metal diatomic molecules [30–34]. Some of them have been recently produced in their lowest rovibrational and even hyperfine level, i.e.LiCs [35], KRb [36–38], RbCs [39, 40], NaK [41] and NaRb [42]. ...
Surface Enhanced Raman Scattering Spectroscopy
... In the next step the target molecule (pyridine) will be absorbed onto the colloid surface by simply adding it to the solution while under the vigorous stir. And at last we are in good shape to collect the Raman signal with the optical setup. The procedure is rather simple and straightforward, howev ...
... In the next step the target molecule (pyridine) will be absorbed onto the colloid surface by simply adding it to the solution while under the vigorous stir. And at last we are in good shape to collect the Raman signal with the optical setup. The procedure is rather simple and straightforward, howev ...
Asymmetric surface plasmon polariton emission by a dipole emitter
... interface, evaluated at z = 5 nm above the gold interface (in volts per meter). The dipole emits at a frequency corresponding to a vacuum wavelength of 652 nm. Bottom: plot of the time-averaged electric-field intensity at z = 5 nm. In contrast to the fields plotted in Figs. 1(b) and 1(c), the radiat ...
... interface, evaluated at z = 5 nm above the gold interface (in volts per meter). The dipole emits at a frequency corresponding to a vacuum wavelength of 652 nm. Bottom: plot of the time-averaged electric-field intensity at z = 5 nm. In contrast to the fields plotted in Figs. 1(b) and 1(c), the radiat ...
Observation of Distinct Two-Photon Transition Channels in CdTe
... spectrum can be highlighted. The first one is that the 2PA cross sections for the experimental data are can be highlighted. The first one is that the 2PA cross sections for the experimental data are slightly slightly higher than theoretical ones. The second one is that the experimental 2PA spectrum ...
... spectrum can be highlighted. The first one is that the 2PA cross sections for the experimental data are can be highlighted. The first one is that the 2PA cross sections for the experimental data are slightly slightly higher than theoretical ones. The second one is that the experimental 2PA spectrum ...
Theoretical Modeling of Magnesium Ion Imprints in the Raman
... Hydration envelopes of metallic ions significantly influence their chemical properties and biological functioning. Previous computational studies, nuclear magnetic resonance (NMR), and vibrational spectra indicated a strong affinity of the Mg2+ cation to water. We find it interesting that, although ...
... Hydration envelopes of metallic ions significantly influence their chemical properties and biological functioning. Previous computational studies, nuclear magnetic resonance (NMR), and vibrational spectra indicated a strong affinity of the Mg2+ cation to water. We find it interesting that, although ...
Excited-State Intramolecular Proton Transfer in 3
... (cf. ref 7). To clarify whether there is any indirect excitation via radiationless relaxation from an excited electronic state it would be of interest to examine the wavelength dependence of the H / D exchange, tuning both within the N-H vibrational overtone band centered at 1052 nm and at higher en ...
... (cf. ref 7). To clarify whether there is any indirect excitation via radiationless relaxation from an excited electronic state it would be of interest to examine the wavelength dependence of the H / D exchange, tuning both within the N-H vibrational overtone band centered at 1052 nm and at higher en ...
Rotational spectroscopy
Rotational spectroscopy is concerned with the measurement of the energies of transitions between quantized rotational states of molecules in the gas phase. The spectra of polar molecules can be measured in absorption or emission by microwave spectroscopy or by far infrared spectroscopy. The rotational spectra of non-polar molecules cannot be observed by those methods, but can be observed and measured by Raman spectroscopy. Rotational spectroscopy is sometimes referred to as pure rotational spectroscopy to distinguish it from rotational-vibrational spectroscopy where changes in rotational energy occur together with changes in vibrational energy, and also from ro-vibronic spectroscopy (or just vibronic spectroscopy) where rotational, vibrational and electronic energy changes occur simultaneously.For rotational spectroscopy, molecules are classified according to symmetry into spherical top, linear and symmetric top; analytical expressions can be derived for the rotational energy terms of these molecules. Analytical expressions can be derived for the fourth category, asymmetric top, for rotational levels up to J=3, but higher energy levels need to be determined using numerical methods. The rotational energies are derived theoretically by considering the molecules to be rigid rotors and then applying extra terms to account for centrifugal distortion, fine structure, hyperfine structure and Coriolis coupling. Fitting the spectra to the theoretical expressions gives numerical values of the angular moments of inertia from which very precise values of molecular bond lengths and angles can be derived in favorable cases. In the presence of an electrostatic field there is Stark splitting which allows molecular electric dipole moments to be determined.An important application of rotational spectroscopy is in exploration of the chemical composition of the interstellar medium using radio telescopes.