We present chemical implications arising from spectral models fit to the Herschel/HIFI spectral survey toward the Orion Kleinmann-Low nebula (Orion KL). We focus our discussion on the eight complex organics detected within the HIFI survey utilizing a
novel technique to identify those molecules emitting in the hottest gas. In particular, we find the complex nitrogen bearing species CH$_{3}$CN, C$_{2}$H$_{3}$CN, C$_{2}$H$_{5}$CN, and NH$_{2}$CHO systematically trace hotter gas than the oxygen bearing organics CH$_{3}$OH, C$_{2}$H$_{5}$OH, CH$_{3}$OCH$_{3}$, and CH$_{3}$OCHO, which do not contain nitrogen. If these complex species form predominantly on grain surfaces, this may indicate N-bearing organics are more difficult to remove from grain surfaces than O-bearing species. Another possibility is that hot (T$_{rm kin}$$sim$300 K) gas phase chemistry naturally produces higher complex cyanide abundances while suppressing the formation of O-bearing complex organics. We compare our derived rotation temperatures and molecular abundances to chemical models, which include gas-phase and grain surface pathways. Abundances for a majority of the detected complex organics can be reproduced over timescales $gtrsim$ 10$^{5}$ years, with several species being under predicted by less than 3$sigma$. Derived rotation temperatures for most organics, furthermore, agree reasonably well with the predicted temperatures at peak abundance. We also find that sulfur bearing molecules which also contain oxygen (i.e. SO, SO$_{2}$, and OCS) tend to probe the hottest gas toward Orion KL indicating the formation pathways for these species are most efficient at high temperatures.
We present a comprehensive analysis of a broad band spectral line survey of the Orion Kleinmann-Low nebula (Orion KL), one of the most chemically rich regions in the Galaxy, using the HIFI instrument on board the Herschel Space Observatory. This surv
ey spans a frequency range from 480 to 1907 GHz at a resolution of 1.1 MHz. These observations thus encompass the largest spectral coverage ever obtained toward this high-mass star-forming region in the sub-mm with high spectral resolution, and include frequencies $>$ 1 THz where the Earths atmosphere prevents observations from the ground. In all, we detect emission from 39 molecules (79 isotopologues). Combining this dataset with ground based mm spectroscopy obtained with the IRAM 30 m telescope, we model the molecular emission from the mm to the far-IR using the XCLASS program which assumes local thermodynamic equilibrium (LTE). Several molecules are also modeled with the MADEX non-LTE code. Because of the wide frequency coverage, our models are constrained by transitions over an unprecedented range in excitation energy. A reduced $chi^{2}$ analysis indicates that models for most species reproduce the observed emission well. In particular, most complex organics are well fit by LTE implying gas densities are high ($>$10$^6$ cm$^{-3}$) and excitation temperatures and column densities are well constrained. Molecular abundances are computed using H$_{2}$ column densities also derived from the HIFI survey. The distribution of rotation temperatures, $T_{rm rot}$, for molecules detected toward the hot core is significantly wider than the compact ridge, plateau, and extended ridge $T_{rm rot}$ distributions, indicating the hot core has the most complex thermal structure.
We present a comprehensive study of the deuterated molecules detected in the fullband HIFI survey of the Orion KL region. Ammonia, formaldehyde, and methanol and their singly deuterated isotopologues are each detected through numerous transitions in
this survey with a wide range in optical depths and excitation conditions. In conjunction with a recent study of the abundance of HDO and H$_2$O in Orion KL, this study yields the best constraints on deuterium fractionation in an interstellar molecular cloud to date. As previous studies have found, both the Hot Core and Compact Ridge regions within Orion KL contain significant abundances of deuterated molecules, suggesting an origin in cold grain mantles. In the Hot Core, we find that ammonia is roughly a factor of 2 more fractionated than water. In the Compact Ridge, meanwhile, we find similar deuterium fractionation in water, formaldehyde, and methanol, with D/H ratios of (2---8) $times$ $10^{-3}$. The [CH$_2$DOH]/[CH$_3$OD] ratio in the Compact Ridge is found to be $1.2 pm 0.3$. The Hot Core generally has lower deuterium fractionation than the Compact Ridge, suggesting a slightly warmer origin, or a greater contribution from warm gas phase chemistry.
