共查询到20条相似文献，搜索用时 921 毫秒
1.
A number of small, cyclic molecules containing several carbon atoms in their ring structure has been identified in different astrophysical environments. It is the aim of this work to study important molecular properties of such heterocyclic species bearing an iron atom, which is one of the most abundant cosmic elements. Quantum theoretical calculations based on a density functional approach have been employed to investigate physical properties of six small cyclic carbon and hydrocarbon molecules containing iron as a hetero atom, viz. FeC2H n and FeC3H n (n=0,2,4). The full geometry optimisation at the chosen level of electronic structure theory (B3LYP/6-31G(d)) including vibrational anharmonicities and non-rigidity, has furnished values for the rotational constants of these species to an expected accuracy of about one per cent. We present structural, electronic, vibrational, and rotational molecular properties including line frequencies, line strengths, and transition probabilities. These results may be helpful for identifying these molecules in future laboratory experiments in view of tentative astronomical observations. 相似文献
2.
David L. Huestis 《Planetary and Space Science》2008,56(13):1733-1743
Hydrogen is the most abundant element in the universe. Molecular hydrogen is the dominant chemical species in the atmospheres of the giant planets. Because of their low masses, neutral and ionized hydrogen atoms are the dominant species in the high atmospheres of many planets. Finally, protons are the principal heavy component of the solar wind.Here we present a critical evaluation of the current state of understanding of the chemical reaction rates and collision cross sections for several important hydrogen collision processes in planetary atmospheres, ionospheres, and magnetospheres. Accurate ab initio quantum theory will play an important role. The collision processes are grouped as follows:
- (a)
- H++H charge transfer,
- (b)
- H++H2(v) charge transfer and vibrational relaxation, and
- (c)
- H2(v,J)+H2 vibrational, rotational, and ortho-para relaxation.
3.
We present results from 44 simulations of late stage planetary accretion, focusing on the delivery of volatiles (primarily water) to the terrestrial planets. Our simulations include both planetary “embryos” (defined as Moon to Mars sized protoplanets) and planetesimals, assuming that the embryos formed via oligarchic growth. We investigate volatile delivery as a function of Jupiter's mass, position and eccentricity, the position of the snow line, and the density (in solids) of the solar nebula. In all simulations, we form 1-4 terrestrial planets inside 2 AU, which vary in mass and volatile content. In 44 simulations we have formed 43 planets between 0.8 and 1.5 AU, including 11 “habitable” planets between 0.9 and 1.1 AU. These planets range from dry worlds to “water worlds” with 100+oceans of water (1 ocean=1.5×1024 g), and vary in mass between 0.23M⊕ and 3.85M⊕. There is a good deal of stochastic noise in these simulations, but the most important parameter is the planetesimal mass we choose, which reflects the surface density in solids past the snow line. A high density in this region results in the formation of a smaller number of terrestrial planets with larger masses and higher water content, as compared with planets which form in systems with lower densities. We find that an eccentric Jupiter produces drier terrestrial planets with higher eccentricities than a circular one. In cases with Jupiter at 7 AU, we form what we call “super embryos,” 1-2M⊕ protoplanets which can serve as the accretion seeds for 2+M⊕ planets with large water contents. 相似文献
4.
By comparison with the Earth-like planets and the large icy satellites of the Solar System, one can model the internal structure of extrasolar planets. The input parameters are the composition of the star (Fe/Si and Mg/Si), the Mg content of the mantle (Mg# = Mg/[Mg + Fe]), the amount of H2O and the total mass of the planet. Equation of State (EoS) of the different materials that are likely to be present within such planets have been obtained thanks to recent progress in high-pressure experiments. They are used to compute the planetary radius as a function of the total mass. Based on accretion models and data on planetary differentiation, the internal structure is likely to consist of an iron-rich core, a silicate mantle and an outer silicate crust resulting from magma formation in the mantle. The amount of H2O and the surface temperature control the possibility for these planets to harbor an ocean. In preparation to the interpretation of the forthcoming data from the CNES led CoRoT (Convection Rotation and Transit) mission and from ground-based observations, this paper investigates the relationship between radius and mass. If H2O is not an important component (less than 0.1%) of the total mass of the planet, then a relation (R/REarth)=ab(M/MEarth) is calculated with (a,b)=(1,0.306) and (a,b)=(1,0.274) for 10−2MEarth<M<MEarth and MEarth<M<10MEarth, respectively. Calculations for a planet that contains 50% H2O suggest that the radius would be more than 25% larger than that based on the Earth-like model, with (a,b)=(1.258,0.302) for 10−2MEarth<M<MEarth and (a,b)=(1.262,0.275) for MEarth<M<10MEarth, respectively. For a surface temperature of 300 K, the thickness of the ocean varies from 150 to 50 km for planets 1 to 10 times the Earth's mass, respectively. Application of this algorithm to bodies of the Solar System provides not only a good fit to most terrestrial planets and large icy satellites, but also insights for discussing future observations of exoplanets. 相似文献
5.
Measurements of water vapor in the atmospheres of Venus or Mars by spectroscopic techniques in the infrared range are being made routinely by instruments onboard the Venus Express and the Mars Reconnaissance Orbiter. The interpretation of these measurements in the 2250-4450 cm−1 region is being complicated by the presence of HDO lines absorbing radiation in this region. These spectra cannot be modeled properly because line shape parameters for CO2 broadening (principal gas in these atmospheres) of HDO are not available. Here semi-classical line shape calculations for the HDO-CO2 collision system are made using the Robert-Bonamy formalism for some 2300 rotational band transitions of HDO. From these calculations, the half-width, its temperature dependence, and the line shift are determined to aid in the reduction of the measured spectra. These data will greatly reduce the uncertainty of the reduced profiles from the Venus and Mars measurements and will also allow better estimates of the D/H ratio on these planets. 相似文献
6.
The effect of quasi-resonance energy transfer in collisions between H2 and H2O molecules in H2O maser sources is investigated. New data on the state-to-state rate coefficients for collisional transitions for H2O and H2 molecules are used in the calculations. The results of ortho-H2O level population inversion calculations for the 22.2-, 380-, 439-, and 621-GHz transitions are presented. The ortho-H2O level population inversion is shown to depend significantly on the population distribution of the para-H2 J = 0 and 2 rotational levels. The possibility of quasi-resonance energy transfer in collisions between H2 molecules at highly excited rotational-vibrational levels and H2O molecules is considered. The quasi-resonance energy transfer effect can play a significant role in pumping H2O masers in the central regions of active galactic nuclei and in star-forming regions. 相似文献
7.
In response to the observations of the ultravioler deficiencies shown by all of the outer planets and Titan, models have been proposed to explain the low albedos by absorption by particles in the upper atmospheres of these objects. These particles are generally believed to be photochemically formed from gases in the upper atmospheres, primarily methane and hydrogen. Such processes may also be operative on Titan. The results of some laboratory experiments of the proton irradiation of mixtures of gases including CH4 H2, NH3, etc., have shown that liquid and solid materials are produced that are strong ultraviolet absorbers. However, the material produced from the CH4 + H2 mixture was colorless, indicating that species containing elements other than carbon and hydrogen are necessary for the production of color. Two such elements are nitrogen (as NH3 or N2) and sulfur (as H2S) and colored materials have been produced from such mixtures. None of these materials has spectral properties identical to those shown by the planets. Therefore it is necessary that mixtures (and/or cloud layers) of the photochemical materials be present. 相似文献
8.
Chemistry of atmospheres formed during accretion of the Earth and other terrestrial planets 总被引：1，自引：0，他引：1
We used chemical equilibrium and chemical kinetic calculations to model chemistry of the volatiles released by heating different types of carbonaceous, ordinary and enstatite chondritic material as a function of temperature and pressure. Our results predict the composition of atmospheres formed by outgassing during accretion of the Earth and other terrestrial planets. Outgassing of CI and CM carbonaceous chondritic material produces H2O-rich (steam) atmospheres in agreement with the results of impact experiments. However, outgassing of other types of chondritic material produces atmospheres dominated by other gases. Outgassing of ordinary (H, L, LL) and high iron enstatite (EH) chondritic material yields H2-rich atmospheres with CO and H2O being the second and third most abundant gases. Outgassing of low iron enstatite (EL) chondritic material gives a CO-rich atmosphere with H2, CO2, and H2O being the next most abundant gases. Outgassing of CV carbonaceous chondritic material gives a CO2-rich atmosphere with H2O being the second most abundant gas. Our results predict that the atmospheres formed during accretion of the Earth and Mars were probably H2-rich unless the accreted material was dominantly CI and CM carbonaceous chondritic material. We also predict significant amounts of S, P, Cl, F, Na, and K in accretionary atmospheres at high temperatures (1500-2500 K). Finally, our results may be useful for interpreting spectroscopic observations of accreting extrasolar terrestrial planets. 相似文献
9.
The S(1) line of the pressure-induced fundamental band of H2 was identified and measured in the spectra of Saturn and Jupiter. This broad line at 4750 cm?1 lies in a region free from telluric and planetary absorptions. It is about 99% absorbing in the core; the high-frequency wing extends to at least 5100 cm?1. We compare the obseved line shape to the predictions of both a reflecting-layer model (RLM) and a homogeneous scattering model (HSM). The RLM provides a good fit to the Saturn line profile for temperatures near 150K; the derived base-level density is 0.52 (+0.26, ?0.17) amagat and the H2 abundance is 25 (+10, ?9) km-amagat, assuming a scale height of 48 km. The Jupiter line profile is fit by both the RLM and HSM, but for widely differing temperatures, neither of which seems probable. The precise fitting of the observed S(1) line profile to computed models depends critically on the determination of the true continuum level; difficulties encountered in finding the continuum, especially for Jupiter, are discussed. Derived RLM densities and abundances for both planets are substantially lower than those derived from RLM analyses of the H2 quadrupole lines, the 3ν3 band of CH4, and from other sources. 相似文献
10.
We detected CH4 in eight Oort cloud comets using high-dispersion (λ/Δλ∼2×104) infrared spectra acquired with CSHELL at NASA's IRTF and NIRSPEC at the W.M. Keck Observatory. The observed comets were C/1995 O1 (Hale-Bopp), C/1996 B2 (Hyakutake), C/1999 H1 (Lee), C/1999 T1 (McNaught-Hartley), C/1999 S4 (LINEAR), C/2000 WM1 (LINEAR), C/2001 A2 (LINEAR), and 153/P Ikeya-Zhang (C/2002 C1). We detected the R0 and R1 lines of the ν3 vibrational band of CH4 near 3.3 μm in each comet, with the exception of McNaught-Hartley where only the R0 line was measured. In order to obtain production rates, a fluorescence model has been developed for this band of CH4. We report g-factors for the R0 and R1 transitions at several rotational temperatures typically found in comet comae and relevant to our observations. Using g-factors appropriate to Trot as determined from HCN, CO and/or H2O and C2H6, CH4 production rates and mixing ratios are presented. Abundances of CH4/H2O are compared among our existing sample of comets, in the context of establishing their place of origin. In addition, CH4 is compared to native CO, another hypervolatile species, and no correlation is found among the comets observed. 相似文献
11.
We have obtained high-resolution spectra of Uranus and Neptune in the methane transition near 6800 Å, and in particular, the 6818.9Å feature. Calculated equivalent widths for this line using recently proposed models of the atmospheres of these two planets indicate that the C/H ratio is greater than or equal to 5 × 10?3 below the CH4 saturation level. This value is 12 times the solar mixing ratio. The half-widths of the computed line profiles are in agreement with the observed half-widths. Therefore, it is unnecessary to introduce an unidentified constituent with an abundance comparable to H2, postulated recently by Belton and Hayes, and by Bergstrahl, to account for the observed line broadening. 相似文献
12.
We use numerical integrations to investigate the dynamical evolution of resonant Trojan and quasi-satellite companions during the late stages of migration of the giant planets Jupiter, Saturn, Uranus, and Neptune. Our migration simulations begin with Jupiter and Saturn on orbits already well separated from their mutual 2:1 mean-motion resonance. Neptune and Uranus are decoupled from each other and have orbital eccentricities damped to near their current values. From this point we adopt a planet migration model in which the migration speed decreases exponentially with a characteristic timescale τ (the e-folding time). We perform a series of numerical simulations, each involving the migrating giant planets plus test particle Trojans and quasi-satellites. We find that the libration frequencies of Trojans are similar to those of quasi-satellites. This similarity enables a dynamical exchange of objects back and forth between the Trojan and quasi-satellite resonances during planetary migration. This exchange is facilitated by secondary resonances that arise whenever there is more than one migrating planet. For example, secondary resonances may occur when the circulation frequencies, f, of critical arguments for the Uranus-Neptune 2:1 mean-motion near-resonance are commensurate with harmonics of the libration frequency of the critical argument for the Trojan and quasi-satellite 1:1 mean-motion resonance . Furthermore, under the influence of these secondary resonances quasi-satellites can have their libration amplitudes enlarged until they undergo a close-encounter with their host planet and escape from the resonance. High-resolution simulations of this escape process reveal that ≈80% of jovian quasi-satellites experience one or more close-encounters within Jupiter’s Hill radius (RH) as they are forced out of the quasi-satellite resonance. As many as ≈20% come within RH/4 and ≈2.5% come within RH/10. Close-encounters of escaping quasi-satellites occur near or even below the 2-body escape velocity from the host planet. Finally, the exchange and escape of Trojans and quasi-satellites continues to as late as 6-9τ in some simulations. By this time the dynamical evolution of the planets is strongly dominated by distant gravitational perturbations between the planets rather than the migration force. This suggests that exchange and escape of Trojans and quasi-satellites may be a contemporary process associated with the present-day near-resonant configuration of some of the giant planets in our Solar System. 相似文献
13.
William Hayden Smith 《Icarus》1978,33(1):210-216
The ratio for the equivalent widths for the unsaturated H2 quadrupole transitions observed in the Jovian planets is calculated and compared with a large number of observations. The comparison indicates that equilibrium hydrogen may be present in Jupiter and Saturn, while Uranus and Nepture exhibit ratios not in accord with equilibrium hydrogen. Observations which can differentiate among the possible states of H2 are proposed. 相似文献
14.
We present 1.25-19 μm infrared spectra of pure solid CH4 and H2O/CH4=87, 20, and 3 solid mixtures at temperatures from 15 to 150 K. We compare and contrast the absorptions of CH4 in solid H2O with those of pure CH4. Changes in selected peak positions, profiles, and relative strength with temperature are presented, and absolute strengths for absorptions of CH4 in solid H2O are estimated. Using the two largest (ν3+ν4) and (ν1+ν4) near-IR absorptions of CH4 at 2.324 and 2.377 μm (4303 and 4207 cm−1), respectively, as examples, we show that peaks of CH4 in solid H2O are at slightly shorter wavelength (higher frequency) and broader than those of pure solid CH4. With increasing temperature, these peaks shift to higher frequency and become increasingly broad, but this trend is reversible on re-cooling, even though the phase transitions of H2O are irreversible. It is to be hoped that these observations of changes in the positions, profiles, and relative intensities of CH4 absorptions with concentration and temperature will be of use in understanding spectra of icy outer Solar System bodies. 相似文献
15.
The near-surface inorganic synthesis of molecular hydrogen (H2) is a fundamental process relevant to the origins and to the sustenance of early life on Earth and potentially other planets. Hydrogen production through the decomposition of water is thought to be a principal reaction that occurs during hydrothermal alteration of olivine, an iron-magnesium silicate abundant near planetary surfaces. We demonstrate that copious amounts of H2 are produced only when the olivine undergoing alteration (serpentinization) contains 1 to 50 mol% iron over a variety of planetary surface P-T conditions. This suggests that extrasolar Earth-like planets that are hosted by a star with iron contents up to two times the solar value could support life provided they are hydrothermally active and fall within the habitable zone around the star. 相似文献
16.
Some astrophysical observations of molecular hydrogen point to a broadening of the velocity distribution for molecules at excited rotational levels. This effect is observed in both Galactic and high-redshift clouds. Analysis of H2, HD, and CI absorption lines has revealed the broadening effect in the absorption system of QSO 1232+082 (z abs = 2.33771). We analyze line broadening mechanisms by considering in detail the transfer of ultraviolet radiation (in the resonance lines of the Lyman and Werner H2 molecular bands) for various velocity distributions at excited rotational levels. The mechanism we suggest includes the saturation of the lines that populate excited rotational levels (radiative pumping) and manifests itself most clearly in the case of directional radiation in the medium. Based on the calculated structure of a molecular hydrogen cloud in rotational level populations, we have considered an additional mechanism that takes into account the presence of a photodissociation region. Note that disregarding the broadening effects we investigated can lead to a significant systematic error when the data are processed. 相似文献
17.
A. Neal J. Evans II B. John H. Lacy C. John S. Carr D. Shudong Zhou 《Astrophysics and Space Science》1995,224(1-2):181-184
We have observed C2H2 and HCN rovibrational transitions near 13µm in absorption against GL2591. We also have observed rotational transitions at 0.6-3 mm of CS, HCN, H2CO, and HCO+. Analysis of the rotational lines, which arise in the extended cloud around the source, shows that no single density model can explain all the data. Models with density and temperature gradients do much better; in particular models withn(r) r
–1.5 can reproduce the observed pattern of emission line strengths. The abundances show significant depletion compared to models of gas-phase chemistry. The rovibrational data were analyzed in comparison to the absorption line analysis of CO by Mitchellet al. (1989). Our data are consistent with the C2H2 and HCN absorption arising in the same warm (200 K) and hot (1010 K) components seen in CO, but we see little evidence for the cold (38 K) component seen in CO. The rovibrational lines from higher states (J 21) indicate that the hot HCN deviates from LTE, leading to a density of about 3 × 107 cm–3. Comparison of the two data sets shows that the rovibrational absorption of HCN, rather than arising in the extended envelope, must come from a region with a small angular extent. A model in which early-time gas phase abundances are preserved on grain mantles and released at high temperature can explain the data. 相似文献
18.
We have calculated Einstein A-coefficients for electric dipole transitions in the ground vibrational state of the moleculesH
2
D
+ andD
2
H
+, between the rotational levels up to 2200 and 2000 cm–1, respectively. These A-coefficients are used for computing the mean radiative life-times of the levels. These data play an important role in analysing the spectra from astronomical objects. 相似文献
19.
Ethylene oxide (\(c\)-C2H4O) and its isomer acetaldehyde (CH3CHO) are important organic molecules because of their potential role in the formation of amino acids. The \(c\)-C2H4O molecule is a \(b\)-type asymmetric top molecule and owing to half-spin of each of the four hydrogen atoms, it has two distinct ortho (nuclear spin one) and para (nuclear spin zero and two) species. It has been detected in the Sgr B2N. Using the rotational and centrifugal distortion constants along with the electric dipole moment, we have calculated energies of 100 rotational levels of each of the ortho and para species of \(c\)-C2H4O molecule and the Einstein \(A\)-coefficients for radiative transitions between the levels. The values of Einstein \(A\)-coefficients along with the scaled values for the collisional rate coefficients are used for solving a set of statistical equilibrium equations coupled with the equations of radiative transfer.Brightness-temperatures of five rotational transitions of each of the ortho and para species of \(c\)-C2H4O molecule are investigated. Out of these ten transitions, three transitions are found to show the anomalous absorption and rest seven are found to show the emission feature. We have also investigated seven transitions observed unblended in the Sgr B2(N). We have found that the transitions \(3_{3 0} - 3_{2 1}\) (23.134 GHz), \(2_{2 0} - 2_{1 1}\) (15.603 GHz), \(3_{3 1} - 3_{2 2}\) (39.680 GHz) and \(1_{1 1} - 0_{0 0}\) (39.582 GHz) may play important role for the identification of ethylene oxide in a cosmic object. 相似文献
20.
Surface temperature inhomogeneities in classical T Tauri stars (CTTS) induced by magnetic activity andmass accretion lead to rotationalmodulation of both photometric and spectroscopic parameters of these stars. Using the extended photometric catalogue byGrankin et al., we have derived the periods and amplitudes of the rotational modulation of brightness and color for 31 CTTS; for six of them, the periods have been revealed for the first time. The inclinations of the rotation axis and equatorial rotational velocities of CTTS have been determined. We show that the known periods of brightness variations for some of the CTTS are not the axial rotation periods but are the Keplerian periods near the inner boundary of the dusty disk. We have found that the angular velocity of CTTS with a mass of 0.3?3M ?? in the Taurus-Auriga complex remains constant in the age range 1?C10 Myr. CTTS on radiative evolutionary tracks rotate faster than completely convective CTTS. The specific angular momentum of CTTS depends on the absolute luminosity in the H?? line. 相似文献