Design and fabrication of a basic mass analyzer and vacuum system

A two-inch hyperbolic rod quadrupole mass analyzer with a mass range of 400 to 200 amu and a sensitivity exceeding 100 packs per billion has been developed and tested. This analyzer is the basic hardware portion of a microprocessor-controlled quadrupole mass spectrometer for a Gas Analysis and Detection System (GADS). The development and testing of the hyperbolic-rod quadrupole mass spectrometer and associated hardware are described in detail

New records of biting and predaceous midges from Florida, including species new to the fauna of the United States (Diptera: Ceratopogonidae)

We provide new records of biting and predaceous midges (Diptera: Ceratopogonidae) from Florida, including the first documented United States records of Atrichopogon (Atrichopogon) caribbeanus Ewen, Dasyhelea griseola Wirth, D. scissurae Macfie, and Brachypogon (Brachypogon) woodruffi Spinelli and Grogan. Atrichopogon (Meloehelea) downesi Wirth, Forcipomyia (Thyridomyia) monilicornis (Coquillett), F. (T.) nodosa Saunders, Ceratoculicoides blantoni Wirth and Ratanaworabhan, Mallochohelea albibasis (Malloch), Bezzia (Bezzia) imbifida Dow and Turner and B. (B.) mallochi Wirth are recorded for the first time from Florida. Forcipomyia (Thyridomyia) johannseni Thomsen, Bezzia (Bezzia) expolita (Coquillett), and B. (B.) pulverea (Coquillett) are deleted from the ceratopogonid fauna of Florida. Dasyhelea koenigi Delécolle and Rieb is a junior objective synonym of Dasyhelea scissurae Macfie (NEW SYNONYM). The total number of Ceratopogonidae recorded from Florida is now 249 species contained within 27 genera

Ab initio synthesis of the ozone ultraviolet continuum

Potential energy surfaces for the ground and excited electronic states responsible for the Hartley continuum of ozone are used to obtain quadratic, cubic, and quartic force constants. Vibrational dependence of rotational constants to sixth order is calculated by perturbation theory. The spectroscopic constants enable computation of rovibronic energy levels. Overlap of ground state and excited state perturbed vibrational wave functions yield Franck–Condon factors. Electric dipole allowed rovibronic transitions are generated under the Ir representation. The entire set of results generate the ultraviolet absorption spectrum. It is shown that inclusion of anharmonic terms in the vibrational Hamiltonian has a small effect upon the final spectrum, whereas rotational broadening plays a greater role in achieving agreement with experiment.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/69598/2/JCPSA6-86-10-5329-1.pd

A theoretical study of the optical absorption band shape for xenon hexafluoride

The classical Franck–Condon approximation is used together with the Monte Carlo integration technique to calculate the optical absorption band shape arising in xenon hexafluoride from the pseudo‐Jahn–Teller active t1u bending mode. The potential energy function for this mode has the Devonshire form for the hindered rotational motion of a diatomic molecule in a cubic site and is characterized by three parameters. Results are presented using values of these parameters as determined by Pitzer and Bernstein for the 1A1g electronic ground state and as estimated by us from the crystal‐field model of Wang and Lohr for the 1T1u and 3T1u electronic excited states.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/71170/2/JCPSA6-67-5-1935-1.pd

Nuclear magnetic resonance-paramagnetic relaxation enhancements: Influence of spatial quantization of the electron spin when the zero-field splitting energy is larger than the Zeeman energy

Dissolved paramagnetic ions generally provide an efficient mechanism for the relaxation of nuclear spins in solution, a phenomenon called the nuclear magnetic resonance-paramagnetic relaxation enhancement (NMR-PRE). Metal ions with electron spins S ≥ 1S⩾1 exhibit rich NMR relaxation phenomena originating in the properties of the zero-field splitting (zfs) interaction, which vanishes for spin-½12 ions but which is nonzero for S ≥ 1S⩾1 ions in site symmetry lower than cubic. For S ≥ 1S⩾1 ions in the vicinity of the zfs-limit, i.e., at magnetic-field strengths low enough that the zfs energy exceeds the Zeeman energy, the NMR-PRE depends strongly on the detailed structure of the electron spin energy levels as well as on the spatial quantization of the spin motion. It is shown theoretically and experimentally that the NMR-PRE produced by integer spins can be influenced strongly by the small intradoublet zero-field splittings, i.e., the splittings between the components of the non-Kramers doublets, which are produced by noncylindrical components of the crystal field potential. These small splittings produce relatively low-frequency oscillations in the dipolar field associated with 〈〉〈Sẑ〉 (the spin component along the molecule-fixed ẑ axis). These motions decouple the nuclear spin from the electron spin, thereby depressing, in some cases very strongly, the NMR-PRE. The presence of a relatively small Zeeman field, comparable in magnitude to the intradoublet spacing but small compared to the larger interdoublet zfs splittings, causes a major change in the spin wave functions which has profound effects on the motions of the electron spin. When the Zeeman energy exceeds the small zfs splitting, the oscillatory motion of 〈〉〈Sẑ〉 damps out, with the result that the electron spin couples more effectively to the nuclear spin, providing a more efficient NMR relaxation pathway. NMR-PRE data are presented for the S = 1S=1 complex Ni(II)(o-pda)2Cl2Ni(II)(o-pda)2Cl2 (o-pda = ortho-phenylenediamine)(o-pda=ortho-phenylenediamine) which confirm the importance of the splitting of the mS = ±1mS=±1 non-Kramers doublet on the NMR relaxation efficiency. The zfs E-parameter was measured from the NMR data to be ∣E∣ = 0.26 cm−1.∣E∣=0.26cm−1. The S = 2S=2 spin system, Mn(III)Mn(III)-tetraphenylporphyrin sulfonate, exhibits a related phenomenon which arises from the effects of a small zfs splitting, Δϵ±2,Δϵ±2, of the mS = ±2mS=±2 non-Kramers doublet that is caused by a fourfold rotational component of the crystal field potential. The splitting Δϵ±2Δϵ±2 was measured from NMR data to be 0.20 cm−1.0.20cm−1. © 1998 American Institute of Physics.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70721/2/JCPSA6-109-10-4035-1.pd

Analysis of an energy minimization method for locating transition states on potential energy hypersurfaces

Conditions are given for the successful search for a transition state by an energy minimization method. Proofs for these guidelines are presented. Advantages of this method are discussed, including its use in establishing lower bounds to transition state energies. Comparisons are made with other searching methods.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/23310/1/0000248.pd

The Electron Scattering Region in Seyfert Nuclei

The electron scattering region (ESR) is one of important ingredients in Seyfert nuclei because it makes possible to observe the hidden broad line region (hereafter HBLR) in some type 2 Seyfert nuclei (hereafter S2s). However, little is known about its physical and geometrical properties. Using the number ratio of S2s with and without HBLR, we investigate statistically where the ESR is in Seyfert nuclei. Our analysis suggests that the ESR is located at radius between $\sim$ 0.01 pc and $\sim$ 0.1 pc from the central engine. We also discuss a possible origin of the ESR briefly.Comment: 5 pages and 1 figure. The Astrophysical Journal (Letters), in pres

Taming the Runaway Problem of Inflationary Landscapes

A wide variety of vacua, and their cosmological realization, may provide an explanation for the apparently anthropic choices of some parameters of particle physics and cosmology. If the probability on various parameters is weighted by volume, a flat potential for slow-roll inflation is also naturally understood, since the flatter the potential the larger the volume of the sub-universe. However, such inflationary landscapes have a serious problem, predicting an environment that makes it exponentially hard for observers to exist and giving an exponentially small probability for a moderate universe like ours. A general solution to this problem is proposed, and is illustrated in the context of inflaton decay and leptogenesis, leading to an upper bound on the reheating temperature in our sub-universe. In a particular scenario of chaotic inflation and non-thermal leptogenesis, predictions can be made for the size of CP violating phases, the rate of neutrinoless double beta decay and, in the case of theories with gauge-mediated weak scale supersymmetry, for the fundamental scale of supersymmetry breaking.Comment: 31 pages, including 3 figure

Remote Sensing Reflectance and Inherent Optical Properties in the Mid-mesohaline Chesapeake Bay

We used an extensive set of bio-optical data and radiative transfer (RT) model simulations of radiation fields to investigate relationships between inherent optical properties and remotely sensed quantities in the optically complex, mid-mesohaline Chesapeake Bay waters. Field observations showed that the chlorophyll algorithms used by the MODIS (MODerate resolution Imaging Spectroradiometer) ocean color sensor (i.e. Chlor_a, chlor_MODIS, chlor_a_3 products) do not perform accurately in these Case 2 waters. This is because, when applied to waters with high concentrations of chlorophyll, all MODIS algorithms are based on empirical relationships between chlorophyll concentration and blue-green wavelength remote sensing reflectance (Rrs) ratios that do not account for the typically strong blue-wavelength absorption by non-covarying, dissolved and non-algal particulate components. Stronger correlation was observed between chlorophyll concentration and Rrs ratios in the red (i.e. Rrs(677)/Rrs(554)) where dissolved and non-algal particulate absorption become exponentially smaller. Regionally-specific algorithms that are based on the phytoplankton optical properties in the red wavelength region provide a better basis for satellite monitoring of phytoplankton blooms in these Case 2 waters. Good optical closure was obtained between independently measured Rrs spectra and the optical properties of backscattering, b(sub b), and absorption, a, over the wide range of in-water conditions observed in the Chesapeake Bay. Observed variability in the quantity f/Q (proportionality factor in the relationship between Rrs and the water inherent optical properties ratio b(sub b)/(a+b(sub b)) was consistent with RT model calculations for the specific measurement geometry and water bio-optical characteristics. Data and model results showed that f/Q values in these Case 2 coastal waters are not considerably different from those estimated in previous studies for Case 1 waters. Variation in surface backscattering significantly affected Rrs magnitude across the visible spectrum and was most strongly correlated (R(sup 2)=0.88) with observed variability in Rrs at 670 nm. Surface values of particulate backscattering were strongly correlated with non-algal particulate absorption, a(sub nap), in the blue wavelengths (R(sup 2)=0.83). These results, along with the measured values of backscattering fraction magnitude and non-algal particulate absorption spectral slope, suggest that suspended non-algal particles with high inorganic content are the major water constituents regulating b(sub b) variability in the mid-mesohaline Chesapeake Bay. Remote retrieval of surface b(sub b) and (a(sub nap), from Rrs(670) can be used in regionally-specific satellite algorithms to separate contribution by non-algal particles and dissolved organic matter to total light absorption in the blue, and monitor non-algal suspended particle concentration and distribution in these Case 2 waters