PREDICTION OF THE SPECTROSCOPIC PARAMETERS OF NEW IRON COMPOUNDS: HYDRIDE OF IRON CYANIDE/ISOCYANIDE, HFeCN/HFeNC

1Pilar Redondo, 1Carmen Barrientos, 1Antonio Largo
The Astrophysical Journal 828, 45 Link to Article [http://dx.doi.org/10.3847/0004-637X/828/1/45]
1Departamento de Química Física y Química Inorgánica Facultad de Ciencias, Universidad de Valladolid Campus Miguel Delibes Paseo de Belén 7, E-47011, Valladolid, Spain

Iron is the most abundant transition metal in space. Its abundance is similar to that of magnesium, and until today only, FeO and FeCN have been detected. However, magnesium-bearing compounds such as MgCN, MgNC, and HMgNC are found in IRC+10216. It seems that the hydrides of iron cyanide/isocyanide could be good candidates to be present in space. In the present work we carried out a characterization of the different minima on the quintet and triplet [C, Fe, H, N] potential energy surfaces, employing several theoretical approaches. The most stable isomers are predicted to be hydride of iron cyanide HFeCN, and isocyanide HFeNC, in their 5Δ states. Both isomers are found to be quasi-isoenergetics. The HFeNC isomer is predicted to lie about 0.5 kcal/mol below HFeCN. The barrier for the interconversion process is estimated to be around 6.0 kcal/mol, making this process unfeasible under low temperature conditions, such as those in the interstellar medium. Therefore, both HFeCN and HFeNC could be candidates for their detection. We report geometrical parameters, vibrational frequencies, and rotational constants that could help with their experimental characterization.

ATMOSPHERE-INTERIOR EXCHANGE ON HOT, ROCKY EXOPLANETS

1Edwin S. Kite, 2Bruce Fegley Jr., 3Laura Schaefer, 4Eric Gaidos
The Astrophysical Journal 828, 80 Link to Article [http://dx.doi.org/10.3847/0004-637X/828/2/80]
1University of Chicago, Chicago, IL 60637, USA
2Planetary Chemistry Laboratory, McDonnell Center for the Space Sciences & Department of Earth & Planetary Sciences, Washington University, St Louis MO 63130, USA
3Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138, USA
4University of Hawaii at Manoa, Honolulu, HI 96822, USA

We provide estimates of atmospheric pressure and surface composition on short-period, rocky exoplanets with dayside magma pools and silicate-vapor atmospheres. Atmospheric pressure tends toward vapor-pressure equilibrium with surface magma, and magma-surface composition is set by the competing effects of fractional vaporization and surface-interior exchange. We use basic models to show how surface-interior exchange is controlled by the planet’s temperature, mass, and initial composition. We assume that mantle rock undergoes bulk melting to form the magma pool, and that winds flow radially away from the substellar point. With these assumptions, we find that: (1) atmosphere-interior exchange is fast when the planet’s bulk-silicate FeO concentration is low, and slow when the planet’s bulk-silicate FeO concentration is high; (2) magma pools are compositionally well mixed for substellar temperatures lesssim2400 K, but compositionally variegated and rapidly variable for substellar temperatures gsim2400 K; (3) currents within the magma pool tend to cool the top of the solid mantle (“tectonic refrigeration”); (4) contrary to earlier work, many magma planets have time-variable surface compositions.

Mn-Cr ages and formation conditions of fayalite in CV3 carbonaceous chondrites: Constraints on the accretion ages of chondritic asteroids

1Kaori Jogo, 2Tomoki Nakamura, 3Motoo Ito, 4Shigeru Wakita, 5Mikhail Yu. Zolotov, 6Scott R. Messenger
Geochmica et Cosmochimica Acta (in Press) Link to Article [http://dx.doi.org/10.1016/j.gca.2016.11.027]
1Division of Earth-System Sciences, Korea Polar Research Institute, 26 Songdomirae-ro, Yeonsu-gu, Incheon 406-840, South Korea
2Department of Earth and Planetary Material Sciences, Faculty of Science, Tohoku University, Aoba, Sendai, Miyagi 980-8578, Japan
3Kochi Institute for Core Sample Research, JAMSTEC B200 Monobe, Nankoku, Kochi 783-8502, Japan
4Center for Computational Astrophysics, National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588, Japan
5School of Earth and Space Exploration, Arizona State University, Tempe, Arizona 85287–1404, USA
6Robert M. Walker Laboratory for Space Science, NASA Johnson Space Center, ARES, Mail Code KR, 2101 NASA Parkway, Houston, Texas 77058, USA
Copyright Elsevier

Chondritic planetesimals are among the first planetary bodies that accreted inside and outside water snow line in the protoplanetary disk. CV3 carbonaceous chondrite parent body accreted relatively small amount of water ice, probably near the snow line, and experienced water-assisted metasomatic alteration that resulted in formation of diverse secondary minerals, including fayalite (Fa80–100). Chemical compositions of the CV fayalite and its Mn-Cr isotope systematics indicate that it formed at different temperature (10–300°C) and fluid pressure (3–300 bars) but within a relatively short period of time. Thermal modeling of the CV parent body suggests that it accreted ∼3.2–3.3 Ma after CV CAIs formation and had a radius of >110–150 km. The inferred formation age of the CV parent body is similar to that of the CM chondrite parent body that probably accreted beyond the snow line, but appears to have postdated accretion of the CO and ordinary chondrite parent bodies that most likely formed inside the snow line. The inferred differences in the accretion ages of chondrite parent bodies that formed inside and outside snow line are consistent with planetesimal formation by gravitational/streaming instability.

Chronologic Implications for Slow Cooling of Troctolite 76535 and Temporal Relationships between the Mg-suite and the Ferroan Anorthosite Suite

1Lars E. Borg, 2James N. Connelly, 1William Cassata, 1Amy M. Gaffney, 2Martin Bizzarro
Geochimica et Cosmochimica Acta (in Press) Link to Article [http://dx.doi.org/10.1016/j.gca.2016.11.021]
1Chemical Sciences Division, Lawrence Livermore National Laboratory, 7000 East Avenue L-231, Livermore CA 94550, USA
2Centre for Star and Planet Formation, University of Copenhagen, Øster Voldgade 5-7 Copenhagen, Denmark
Copyright Elsevier

Ages have been obtained using the 87Rb-87Sr, 147Sm-143Nd, and 146Sm-142Nd isotopic systems for one of the most slowly cooled lunar rocks, Apollo 17 Mg-suite troctolite 76535. The 147Sm-143Nd, 146Sm-142Nd, and Rb-Sr ages derived from plagioclase, olivine, and pyroxene mineral isochrons yield concordant ages of 4307 ± 11 Ma, 4299 +29/-35 Ma, and 4279 ± 52 Ma, respectively. These ages are slightly younger than the age determined on ferroan anorthosite suite (FAS) rock 60025 and are therefore consistent with the traditional magma ocean model of lunar differentiation in which the Mg-suite is intruded into the anorthositic crust. However, the Sm-Nd ages record when the rock passed below the closing temperature of the Sm-Nd system in this rock at ∼825 ⁰C, whereas the Rb-Sr age likely records the closure temperature of ∼650 ⁰C. A cooling rate of 3.9 ⁰C/Ma is determined using the ages reported here and in the literature and calculated closure temperatures for the Ar-Ar, Pb-Pb, Rb-Sr, and Sm-Nd systems. This cooling rate is in good agreement with cooling rates estimated from petrographic observations. Slow cooling can lower apparent Sm-Nd crystallization ages by up to ∼80 Ma in the slowest cooled rocks like 76535, and likely accounts for some of the variation of ages reported for lunar crustal rocks. Nevertheless, slow cooling cannot account for the overlap in FAS and Mg-suite rock ages. Instead, this overlap appears to reflect the concordance of Mg-suite and FAS magmatism in the lunar crust as indicated by ages calculated for the solidus temperature of 76535 and 60025 of 4384 ± 24 Ma and 4383 ± 17, respectively. Not only are the solidus ages of 76535 and 60025 nearly concordant, but the Sm-Nd isotopic systematics suggest they are derived from reservoirs that were minimally differentiated prior to ∼4.38 Ga. Although the Sr isotopic composition of 60025 indicates its source was minimally differentiated, the Sr isotopic composition of 76535 indicates it underwent fractionation just prior to solidification of the 76535. These observations are consistent with both a magma ocean or a serial magmatism model of lunar differentiation. In either model, differentiation of lunar source regions must occur near the solidification age of thee samples. Perhaps the best estimate for the formation age of lunar source regions is the Rb-Sr model age of the 76535 source region age of 4401 ± 32 Ma. This is in good agreement with Sm-Nd model ages for the formation of ur-KREEP and suggests that differentiation of a least part of the Moon could not have occurred prior to ∼4.43 Ga.