Search results for "Gas phase"

Hydrogen bonding interaction of N5H with water: A first principle calculations

2019

Abstract The cyclopentazol (N5H) and its anion counterpart (N5–) have been studied extensively over the years and detected in the gas phase as well as in solution recently. In the present investigation, an attempt has been made to understand the interaction with water molecule using first principle calculations. Nature of interactions have been studied using both energy decomposition analysis and atoms in molecule (AIM) theory calculations. Further, the strength of non-covalent interactions were analysed using IGMplots.

Macrocyclic complexes based on [N⋯I⋯N]+ halogen bonds

2021

New 1–2 nm macrocyclic iodine(I) complexes prepared VIA a simple ligand exchange reaction manifest rigid 0.5–1 nm cavities that bind the hexafluorophosphate anion in the gas phase. The size of the cavities and the electrostatic interactions with the iodine(I) cations influence the anion binding properties of these macrocyclic complexes.

Encapsulation of tetramethylphosphonium cations

2009

International audience; The weak interactions and capsule formation of tetramethylphosphonium (TMP) cation with resorcinarenes 1 and 2 and the corresponding pyrogallarenes 3 and 4 were studied in the solid state by single crystal X-ray diffraction, in solution by NMR and in the gas phase by mass spectrometry. In methanol-D4, the NMR titration studies reveal that the association constants for the 1:1 complexes of TMP@3 and TMP@4 are much higher (TMP@4:390±37 M-1) than for the corresponding TMP@1 and TMP@2 (TMP@2:130±10 M-1) complexes. In the gas phase both monomeric 1:1 TMP@1-TMP@4 complexes as well as the dimeric 1:2 capsule complexes, TMP@12-TMP@42 were observed. The 1:1:2 molar mixtures o…

A trajectory-based classification of ERA-Interim ice clouds in the region of the North Atlantic storm track

2016

A two-type classification of ice clouds (cirrus) is introduced, based on the liquid and ice water content, LWC and IWC, along air parcel backward trajectories from the clouds. In situ cirrus has no LWC along the trajectory segment containing IWC; it forms via nucleation from the gas phase. In contrast, liquid-origin cirrus has both LWC and IWC along their backward trajectories; it forms via lifting from the lower troposphere and freezing of mixed-phase clouds. This classification is applied to 12 years of ERA-Interim ice clouds in the North Atlantic region. Between 400 and 500 hPa more than 50% are liquid-origin cirrus, whereas this frequency decreases strongly with altitude (<10% at 200 hP…

Reaction path models of magmatic gas scrubbing

2016

Gas-water-rock reactions taking place within volcano-hosted hydrothermal systems scrub reactive, water-soluble species (sulfur, halogens) from the magmatic gas phase, and as such play a major control on the composition of surface gas manifestations. A number of quantitative models of magmatic gas scrubbing have been proposed in the past, but no systematic comparison of model results with observations from natural systems has been carried out, to date. Here, we present the results of novel numerical simulations, in which we initialized models of hydrothermal gas-water-rock at conditions relevant to Icelandic volcanism. We focus on Iceland as an example of a "wet" volcanic region where scrubb…

Formation of 3-methyl-1,2,3-butanetricarboxylic acid via gas phase oxidation of pinonic acid – a mass spectrometric study of SOA aging

2012

Abstract. This paper presents the results of mass spectrometric investigations of the OH-initiated oxidative aging of α-pinene SOA under simulated tropospheric conditions at the large aerosol chamber facility AIDA, Karlsruhe Institute of Technology. In particular, the OH-initiated oxidation of pure pinic and pinonic acid, two well-known oxidation products of α-pinene, was investigated. Two complementary analytical techniques were used, on-line atmospheric pressure chemical ionization/mass spectrometry (APCI/MS) and filter sampling followed by liquid chromatography/mass spectrometry (LC/ESI-MS). The results show that 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA), a very low volatile α-pine…

Collision induced decomposition of AOT5YB2+: an unespected intracluster rearrangment

2014

SURFACTANT SELF-ASSEMBLING IN THE GAS PHASE: AOT METAL ION NEGATIVE CHARGED AGGREGATES

2008

TASCAを用いたCn, Nh, Fl化学実験のためのHg, Tl, PbのSiO2及びAu表面に対するオンライン化学吸着研究

2018

Online gas-solid adsorption studies with single atom quantities of Hg, Tl, and Pb on SiO$_{2}$ and Au surfaces were carried out using short-lived radioisotopes with half-lives in the range of 4-49 s. This is a model study to measure adsorption enthalpies of superheavy elements Cn, Nh, and Fl. The short-lived isotopes were produced and separated by the gas-filled recoil separator TASCA at GSI. The products were stopped in He gas, and flushed into gas chromatography columns made of Si detectors whose surfaces were covered by SiO$_{2}$ or Au. The short-lived Tl and Pb were successfully measured by the Si detectors with the SiO$_{2}$ surface at room temperature. On the other hand, the Hg did no…

Experimental investigation of anion-π interactions : Applications and biochemical relevance

2015

Chemical communications 52(9), 1778 - 1795(2016). doi:10.1039/C5CC09072E