Search results for "SPECTRA"
showing 10 items of 3542 documents
High-resolution spectroscopy of difference and combination bands of SF6 to elucidate the ν3 + ν1 − ν1 and ν3 + ν2 − ν2 hot band structures in the ν3 …
2014
The strong infrared absorption in the ν3 S–F stretching region of sulphur hexafluoride (SF6) near 948 cm−1 makes it a powerful greenhouse gas. Although its present concentration in the atmosphere is very low, it is increasing rapidly, due to industrial pollution. The ground state population of this heavy species is only 32% at room temperature and thus many hot bands are present. Consequently, a reliable remote-sensing spectroscopic detection and monitoring of this species require an accurate modelling of these hot bands. We used two experimental set-ups at the SOLEIL French synchrotron facility to record some difference and combination bands of SF6: (1) a new cryogenic multiple pass cell w…
Comparative parallel characterization of particle populations with two mass spectrometric systems LAMPAS 2 and SPASS
2006
Abstract Two transportable laser mass spectrometers, Single Particle Analysis and Sizing System (SPASS) and Laser Mass Analyzer for Particles in the Airborne State (LAMPAS 2), have been applied to investigate the dependence of spectra patterns on instrumental parameters and data evaluation procedures in an inter-comparison experiment. Laboratory experiments showed the spectral response of both instruments for mineral particles before and after heterogeneous reactions. During a period of 47 h, both instruments determined size and chemical composition of several thousand single particles of an ambient particle population. Time-resolved evaluation (1-h resolution) of specific ion signals, whic…
Transition-Selective Pulses in Zero-Field Nuclear Magnetic Resonance.
2016
We use low-amplitude, ultralow frequency pulses to drive nuclear spin transitions in zero and ultralow magnetic fields. In analogy to high-field NMR, a range of sophisticated experiments becomes available as these allow narrow-band excitation. As a first demonstration, pulses with excitation bandwidths 0.5–5 Hz are used for population redistribution, selective excitation, and coherence filtration. These methods are helpful when interpreting zero- and ultralow-field NMR spectra that contain a large number of transitions.
Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics
2019
We determined the complete relaxation dynamics of pyrene in ethanol from the second bright state, employing experimental and theoretical broadband heterodyne detected transient grating and two-dimensional photon echo (2DPE) spectroscopy, using pulses with duration of 6 fs and covering a spectral range spanning from 250 to 300 nm. Multiple lifetimes are assigned to conical intersections through a cascade of electronic states, eventually leading to a rapid population of the lowest long-living excited state and subsequent slow vibrational cooling. The lineshapes in the 2DPE spectra indicate that the efficiency of the population transfer depends on the kinetic energy deposited into modes requir…
Development of a non-invasive LED based device for adipose tissue thickness measurements in vivo
2012
There are a number of techniques for body composition assessment in clinics and in field-surveys, but in all cases the applied methods have advantages and disadvantages. High precision imaging methods are available, though expensive and non-portable, however, the methods devised for the mass population, often suffer from the lack of precision. Therefore, the development of a safe, mobile, non-invasive, optical method that would be easy to perform, precise and low-cost, but also would offer an accurate assessment of subcutaneous adipose tissue (SAT) both in lean and in obese persons is required. Thereof, the diffuse optical spectroscopy is advantageous over the aforementioned techniques. A p…
Hartree-Fock calculations and photoelectron spectra of SSO and NSF
1974
Results from ab initio Hartree-Fock calculations on the ground states of SSO and NSF are reported. The calculations employ large basis sets of Gaussian functions of essentially double zeta quality. The photoelectron spectra of the bent triatomic molecules with 18 valence electrons, i.e. SSO, NSF, O3, SO2, NSCl are compared. Further experimental details of the photoelectron spectrum of SSO are presented and an assignment of the observed ionic states of SSO⊕ is attempted. The calculated dissociation energies, dipole moments and the population analyses are given. The correlation effect is qualitatively discussed in connection with the applicability of Koopmans' theorem for the bent tri-atomic …
Influence of Bond Fixation in Benzo-Annulated N-Salicylideneanilines and Their ortho-C(O)X Derivatives (X = CH3, NH2, OCH3) on Tautomeric Equilibria …
2007
1H, 13C, and 15N NMR spectra show that an ortho-C(=O)X group present in the molecules of N-salicylideneanthranilamide (X = NH2), methyl N-salicylideneanthranilate (X = OCH3), N-salicylidene-o-aminoacetophenone (X = CH3), and their benzo analogues have only a minor effect on the tautomeric OH/NH-equilibrium in solution. Only two of three possible tautomers were detected. Lability of the absent form was proved by theoretical calculations. Calculated energies show that the enolimino form (OH) is less stable than the enaminone (NH) form only for dibenzo-annulated N-salicylideneanilines. The population of each species in the tautomeric mixture was found to be inversely proportional to its energy…
Improved calculations of beta decay backgrounds to new physics in liquid xenon detectors
2020
We present high-precision theoretical predictions for the electron energy spectra for the ground-state to ground-state $\beta$ decays of $^{214}$Pb, $^{212}$Pb, and $^{85}$Kr most relevant to the background of liquid xenon dark matter detectors. The effects of nuclear structure on the spectral shapes are taken into account using large-scale shell model calculations. Final spectra also include atomic screening and exchange effects. The impact of nuclear structure effects on the $^{214}$Pb and $^{212}$Pb spectra below $\approx100$ keV, pertinent for several searches for new physics, are found to be comparatively larger than those from the atomic effects alone. We find that the full calculatio…
Deep traps in InGaN/GaN single quantum well structures grown with and without InGaN underlayers
2020
The electrical properties and deep trap spectra were compared for near-UV GaN/InGaN quantum well (QW) structures grown on free-standing GaN substrates. The structures differed by the presence or absence of a thin (110 nm) InGaN layer inserted between the high temperature GaN buffer and the QW region. Capacitance-voltage profiling with monochromatic illumination showed that in the InGaN underlayer (UL), the density of deep traps with optical threshold near 1.5 eV was much higher than in the QW and higher than for structures without InGaN. Irradiation with 5 MeV electrons strongly increased the concentration of these 1.5 eV traps in the QWs, with the increase more pronounced for samples witho…
Generation of homozygosity and genome fixation in pea (Pisum sativum L.)
2013
Pea cultivars are nearly homozygous and thus homogeneous when they are released. The traditional method of selfing is slow and inefficient, taking up to ten generations of inbreeding following a cross to achieve a high level of homozygosity. Current single-seed-descent (SSD) methodologies enable a maximum of three generations per year to be developed in pea. Doubled haploidy and an in vitro based modified SSD technology have been utilised in many important crops for the rapid achievement of homozygosity, and thus acceleration of the breeding process. In pea, due to the lack of robust protocols, none of these technologies is routinely used in a breeding program. The aim of this study was to …