Deposits of clastic carbonate-dominated (calciclastic) sedimentary slope systems in the rock record have been identified mostly as linearly-consistent carbonate apron deposits, even though most ancient clastic carbonate slope deposits fit the submarine fan systems better. Calciclastic submarine fans are consequently rarely described and are poorly understood. Subsequently, very little is known especially in mud-dominated calciclastic submarine fan systems. Presented in this study are a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) that reveals a >250 m thick calciturbidite complex deposited in a calciclastic submarine fan setting. Seven facies are recognised from core and thin section characterisation and are grouped into three carbonate turbidite sequences. They include: 1) Calciturbidites, comprising mostly of highto low-density, wavy-laminated bioclast-rich facies; 2) low-density densite mudstones which are characterised by planar laminated and unlaminated muddominated facies; and 3) Calcidebrites which are muddy or hyper-concentrated debrisflow deposits occurring as poorly-sorted, chaotic, mud-supported floatstones. These

Phd by thesis

This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional molecules important in different areas of atmospheric science have been added to the database. The compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into an underlying relational database structure that offers many advantages over the long-standing sequential text-based structure. The new structure empowers the user in many ways. It enables the incorporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. A powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided.

/pdf/the-hitran-2008-molecular-spectroscopic-database-1ud8clpej3.pdf

The HITRAN 2008 molecular spectroscopic database

There is a special reason for reviewing this book at this time: it is the 50th edition of a compendium that is known and used frequently in most chemical and physical laboratories in many parts of the world. Surely, a publication that has been published for 56 years, withstanding the vagaries of science in this century, must have had something to offer. There is another reason: while the book is a standard fixture in most chemical and physical laboratories, including those in medical centers, it is not as frequently seen in the laboratories of physician's offices (those either in solo or group practice). I believe that the Handbook can be useful in those laboratories. One of the reasons, among others, is that the various basic items of information it offers may be helpful in new tests, either physical or chemical, which are continuously being published. The basic information may relate

Handbook of Chemistry and Physics

A new molecular spectroscopic database for high-temperature modeling of the spectra of molecules in the gas phase is described. This database, called HITEMP, is analogous to the HITRAN database but encompasses many more bands and transitions than HITRAN for the absorbers H2O, CO2, CO, NO, and OH. HITEMP provides users with a powerful tool for a great many applications: astrophysics, planetary and stellar atmospheres, industrial processes, surveillance, non-local thermodynamic equilibrium problems, and investigating molecular interactions, to name a few. The sources and implementation of the spectroscopic parameters incorporated into HITEMP are discussed.

HITEMP, the high-temperature molecular spectroscopic database

. Biomass burning (BB) is the second largest source of trace gases and the largest source of primary fine carbonaceous particles in the global troposphere. Many recent BB studies have provided new emission factor (EF) measurements. This is especially true for non-methane organic compounds (NMOC), which influence secondary organic aerosol (SOA) and ozone formation. New EF should improve regional to global BB emissions estimates and therefore, the input for atmospheric models. In this work we present an up-to-date, comprehensive tabulation of EF for known pyrogenic species based on measurements made in smoke that has cooled to ambient temperature, but not yet undergone significant photochemical processing. All EFs are converted to one standard form (g compound emitted per kg dry biomass burned) using the carbon mass balance method and they are categorized into 14 fuel or vegetation types. Biomass burning terminology is defined to promote consistency. We compile a large number of measurements of biomass consumption per unit area for important fire types and summarize several recent estimates of global biomass consumption by the major types of biomass burning. Post emission processes are discussed to provide a context for the emission factor concept within overall atmospheric chemistry and also highlight the potential for rapid changes relative to the scale of some models or remote sensing products. Recent work shows that individual biomass fires emit significantly more gas-phase NMOC than previously thought and that including additional NMOC can improve photochemical model performance. A detailed global estimate suggests that BB emits at least 400 Tg yr−1 of gas-phase NMOC, which is almost 3 times larger than most previous estimates. Selected recent results (e.g. measurements of HONO and the BB tracers HCN and CH3CN) are highlighted and key areas requiring future research are briefly discussed.

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Emission factors for open and domestic biomass burning for use in atmospheric models

CF4 is a strong greenhouse gas of both anthropogenic and natural origin [D.R. Worton et al., Environ. Sci. Technol. 41, 2184 (2007)]. However, high-resolution infrared spectroscopy of this molecule has received only a limited interest up to now. Until very recently, the public databases only contained cross-sections for this species, but no detailed line list. We reinvestigate here the strongly absorbing ν3 region around 7.8 μm. New Fourier transform infrared (FTIR) spectra up to a maximal resolution of 0.0025 cm−1 have been recorded: (i) room-temperature spectra in a static cell and (ii) a supersonic expansion jet spectrum at a 23 K estimated temperature. Following the work of Gabard et al. [Mol. Phys. 85, 735 (1995)], we perform a simultaneous analysis of both the ν3 and 2ν4 bands since a strong Coriolis interaction occurs between them, perturbing the ν3 R-branch rotational clusters around J = 20. Similarly to Gabard et al. , we also include ν4 FTIR data and microwave data in the fit. The analysis is performed thanks to the XTDS and SPVIEW programs [Ch. Wenger et al., J. Mol. Spectrosc., 251 102 (2008)]. Compared to Gabard et al. , the present work extends the analysis up to higher J values (56 instead of 32). Absorption intensities are estimated thanks to the dipole moment derivative from D. Papousek et al. [J. Phys. Chem. 99, 15387 (1995)] and compare well with the experiment. We have produced a synthetic linelist that is included in the HITRAN 2008 and GEISA 2009 public databases. The rotational energy surfaces for the dyad are also examined in detail in order to understand the distribution and clustering patterns of rovibrational levels.

High-resolution spectroscopy and analysis of the nu3/2nu4 dyad of CF4

https://digital.csic.es/bitstream/10261/166164/1/Stimulated%20Raman0001.pdf

Stimulated Raman spectroscopy of 13 CF 4

/pdf/erratum-new-investigation-of-the-n3-c-h-stretching-region-of-56zu9nlq2s.pdf

Erratum: "New investigation of the ν3 C-H stretching region of 12CH4 through the analysis of high temperature infrared emission spectra" [J. Chem. Phys. 148, 134306 (2018)].

With recent advances in space exploration and atmospheric chemistry there is an increased need for more spectroscopic tools to allow the of study complex species. One such tool is the theory of frame transformation of coupled rotor systems. In this article, the theory of frame transformation along with the concept of rotational energy surface is used to study the symmetry that occurs in trifluoromethyl sulfur pentafluoride due to the internal rotation of the CF3 radical and, more generally, to the extent of floppiness of SF5CF3. Other lower symmetries when a CF4 molecule is stuck on the various symmetry axes of an SF6 molecule are also discussed.

Deformation of sulfur hexafluoride and floppiness of trifluoromethyl sulfur pentafluoride

The influence of an electric field of silicalite-1-zeolite on the FTIR vibrational absorption spectrum of ethylene has been simulated and compared to experimental spectra. The presence of silicalite-1 produces a global shift and a change of the structure of vibrational bands. To explain the global shift of the ν12 band (CH2 scissor mode) and therefore to estimate an effective average field produced by silicalite-1, Stark calculations were performed. These calculations were based on a tensorial formalism implemented in the D2hTDS-ST package [M. Sanzharov, M. Rotger, C. Wenger, M. Loete, V. Boudon, and A. Rouzee, J. Quant. Spectrosc. Radiat. Transf. 112, 41 (2011)]10.1016/j.jqsrt.2010.08.023. The value of the field obtained using tensorial formalism (8–11 GV/m) is compared with values obtained using ab initio calculations. A theory of the molecular alignment in the electric field using tensorial formalism is also developed to model the interaction of ethylene in contact with a zeolite environment.

Vincent Boudon

Papers

High-resolution spectroscopy and analysis of the nu3/2nu4 dyad of CF4

Stimulated Raman spectroscopy of 13 CF 4

Erratum: "New investigation of the ν3 C-H stretching region of 12CH4 through the analysis of high temperature infrared emission spectra" [J. Chem. Phys. 148, 134306 (2018)].

Deformation of sulfur hexafluoride and floppiness of trifluoromethyl sulfur pentafluoride

Stark spectrum simulation for X2Y4 molecules: Application to the ν12 band of ethylene in a high-silica zeolite