Study of HgOH to Assess Its Suitability for Electron Electric Dipole Moment Searches

In search of suitable molecular candidates for probing the electric dipole moment (EDM) of the electron (de), a property that arises due to parity and time-reversal violating (P,T-odd) interactions, we consider the triatomic mercury hydroxide (HgOH) molecule. The impetus for this proposal is based on previous works on two systems: the recently proposed ytterbium hydroxide (YbOH) experiment that demonstrates the advantages of polyatomics for such EDM searches, and the finding that mercury halides provide the highest enhancement due to de compared to other diatomic molecules. We identify the ground state of HgOH as being in a bent geometry, and show that its intrinsic EDM sensitivity is comparable to the corresponding value for YbOH. Along with the theoretical results, we discuss plausible experimental schemes for an EDM measurement in HgOH. Furthermore, we provide pilot calculations of the EDM sensitivity for de for HgCH3 and HgCF3, that are natural extensions of HgOH.

Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, Y = Cl, Br, and I): molecules of interest in the Earth's atmosphere

The electronic-structure properties of the low-lying electronic states and the absorption cross sections of mercury halides have been determined within the UV-vis spectrum range (170 nm ≤ λphoton ≤ 600 nm).

NEW TRANS-1,2- CYCLOHEXYLDIAMINO-NN,N’N’ (CH2CO2)(CH2CO2H)3 ANION CONTAINING ADDUCTS AND DERIVATIVES: SYNTHESIS AND INFRARED STUDY

<p>Five Cyclohexyldiamino-NN, N’N’(CH₂CO₂)(CH₂CO₂H)₃ anion containing adducts and derivatives with tin, antimony and mercury halides have been synthesized and characterized by infrared spectroscopy. The suggested structures are discrete, the anion behaving as a monodentate or a monochelating ligand: the environments around the metallic centres are trigonal bipyramidal or octahedral.The carboxylic groups and the cation, when involved in extra OH---O, OH----Cl or NH---Cl or O hydrogen bonds may lead to supramolecular architectures.</p>

Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects

We report the synthesis, X-ray characterization and DFT study of five Hg(ii) complexes with Schiff bases containing a nicotinohydrazide core to explore the formation of chelate-ring π-stacking interactions.

NEW TRANS-1,2- CYCLOHEXYLDIAMINO-NN,N’N’ (CH2CO2)(CH2CO2H)3 ANION CONTAINING ADDUCTS AND DERIVATIVES: SYNTHESIS AND INFRARED STUDY

Five Cyclohexyldiamino-NN, N’N’(CH2CO2)(CH2CO2H)3 anion containing adducts and derivatives with tin, antimony and mercury halides have been synthesized and characterized by infrared spectroscopy. The suggested structures are discrete, the anion behaving as a monodentate or a monochelating ligand: the environments around the metallic centres are trigonal bipyramidal or octahedral.The carboxylic groups and the cation, when involved in extra OH---O, OH----Cl or NH---Cl or O hydrogen bonds may lead to supramolecular architectures.

Detection and quantification of gas-phase oxidized mercury compounds by GC/MS

Most mercury pollution is emitted to the atmosphere, and the location and bioavailability of deposited mercury largely depends on poorly understood atmospheric chemical reactions that convert elemental mercury into oxidized mercury compounds. Current measurement methods do not speciate oxidized mercury, leading to uncertainty about which mercury compounds exist in the atmosphere and how oxidized mercury is formed. We have developed a gas chromatography/mass spectrometry (GC-MS)-based system for identification and quantification of atmospheric oxidized mercury compounds. The system consists of an ambient air collection device, a thermal desorption module, a cryofocusing system, a gas chromatograph, and an ultra-sensitive mass spectrometer. It was able to separate and identify mercury halides with detection limits low enough for ambient air collection (90 pg), but an improved ambient air collection device is needed. The GC/MS system was unable to quantify HgO or Hg(NO3)2, and data collected cast doubt upon the existence of HgO in the gas phase.

Detection and quantification of gas-phase oxidized mercury compounds by GC/MS

Most mercury pollution is emitted to the atmosphere, and the location and bioavailability of deposited mercury largely depends on poorly understood atmospheric chemical reactions that convert elemental mercury into oxidized mercury compounds. Current measurement methods do not speciate oxidized mercury, leading to uncertainty about which mercury compounds exist in the atmosphere and how oxidized mercury is formed. We have developed a gas chromatography/mass spectrometry-based system for identification and quantification of atmospheric oxidized mercury compounds. The system consists of an ambient air collection device, a thermal desorption module, a cryofocusing system, a gas chromatograph, and an ultra-sensitive mass spectrometer. It was able to separate and identify mercury halides with detection limits low enough for ambient air collection (90 pg), but an improved ambient air collection device is needed. The GC/MS system was unable to quantify HgO or Hg(NO3)2, and data collected cast doubt upon the existence of HgO in the gas phase.