We use the newly introduced spanning stress tensor trajectory $U_{\sigma}$-space construction within next generation quantum theory of atoms in molecules (NG-QTAIM) for a chirality investigation singly and doubly substituted ethane with halogen substituents: F, Cl, Br. A lack achiral character was discovered ethane. The resultant axial bond critical point (BCP) sliding responded more strongly t...

The title compound, [(1-{4-[2-(2,4-di-hydroxy-phen-yl)diazen-1-yl]phen-yl}ethyl-idene)amino]-thio-urea, 1,1,2,2-tetra-chloro-ethane monosolvate, C15H15N5O2S·C2H2Cl4, was prepared from 4-(4-acetyl-phenyl-diazendi-yl)resorcinol and thio-semicarbazide and recrystallized from mixed solvents of tetra-chloro-ethane and n-hexane. 1H NMR and X-ray diffraction data are in support of the thione tautomeri...

An energy decomposition analysis (EDA) for single chemical bonds is presented within the framework of Kohn-Sham density functional theory based on spin projection equations that are exact within wave function theory. Chemical bond energies can then be understood in terms of stabilization caused by spin-coupling augmented by dispersion, polarization, and charge transfer in competition with desta...

The title compound, C(9)H(8)BrNO(2), which was synthesized by the condensation of 4-bromo-benzaldehyde with nitro-ethane, possesses a trans configuration. The dihedral angle between the benzene ring and the mean plane of the double bond is 7.31 (3)°. The crystal structure is stabilized by short inter-molecular Br⋯O contacts [3.168 (4) Å].

Introduction: The presence of ethane in liquidfilled lakes on Titan was confirmed by the Cassini Visible and Infrared Mapping Spectrometer (VIMS) in 2008, and has been investigated in further detail by the Cassini radar instrument [1,2]. Radar sounding, infrared absorption, and modeling suggest that the lakes are predominantly liquid methane and ethane, with trace amounts of propane, butane, ot...

Two tetradentate ligands 1,2-bis[2-((dimethylamino)methyl)-6-pyridyl]ethane (L1) and 1,2-bis[2-(N-piperidinomethyl)-6-pyridyl]ethane (L2) and a hexadentate ligand 1,2-bis(2-((methyl(pyridylmethyl)amino)methyl)-6-pyridyl)ethane (L3) were prepared as part of a series of new polypyridine ligands possessing a 1,2-bis(2-pyridyl)ethane common moiety. L1 and L2 form mononuclear Cu(II) complexes [Cu(L)...

Solid methane (CH(4)), ethane (C(2)H(6)), and ethylene (C(2)H(4)) ices (thickness: 120 ± 40 nm; 10 K), as well as high-density polyethylene (HDPE: [C(2)H(4)](n)) films (thickness: 130 ± 20 nm; 10, 100, and 300 K), were irradiated with mono-energetic oxygen ions (Φ ~ 6 × 10(15) cm(-2)) of a kinetic energy of 5 keV to simulate the exposure of Solar System hydrocarbon ices and aerospace polymers t...

The short-chain non-methane hydrocarbons (NMHC) are mostly emitted into the atmosphere by anthropogenic processes. Recent studies have pointed out a tight linkage between the atmospheric mole fractions of the NMHC ethane and the atmospheric growth rate of methane. Consequently, atmospheric NMHC are valuable indicators for tracking changes in anthropogenic emissions, photochemical ozone producti...

Marine hydrocarbon seeps supply oil and gas to microorganisms in sediments and overlying water. We used stable isotope probing (SIP) to identify aerobic bacteria oxidizing gaseous hydrocarbons in surface sediment from the Coal Oil Point seep field located offshore of Santa Barbara, California. After incubating sediment with (13)C-labeled methane, ethane, or propane, we confirmed the incorporati...