Multiphoton Ionization of Mixed Benzene-Water-Metanol Clusters. Competitive Microscopic Solvation

1990 ◽  
Vol 45 (9-10) ◽  
pp. 1217-1218 ◽  
Author(s):  
K. O. Börnsen ◽  
H. L. Selzle ◽  
E. W. Schlag
Keyword(s):  
Complex Formation ◽  
Water Molecule ◽  
Ternary Mixture ◽  
Multiphoton Ionization ◽  
Supersonic Jet ◽  
Polar Molecules ◽  
Supersonic Jet Expansion ◽  
Single Water Molecule

Abstract Clusters of benzene with polar molecules are observed from a supersonic jet expansion of a ternary mixture of benzene, water and methanol seeded in Helium. It is found that complex formation with methanol is strongly enhanced when a single water molecule is preadsorbed.

Multiphoton Ionization Mass Spectrometry of Chlorophenols as Indicators for Dioxins

2003 ◽  
Vol 57 (4) ◽  
pp. 461-465 ◽  
Author(s):  
Tomohiro Uchimura ◽  
Klaus Hafner ◽  
Ralf Zimmermann ◽  
Totaro Imasaka
Keyword(s):  
Mass Spectrometry ◽  
Excited State ◽  
Molecular Beam ◽  
Multiphoton Ionization ◽  
Supersonic Jet ◽  
Flue Gases ◽  
Ionization Mass Spectrometry ◽  
Ionization Mass ◽  
Molecular Cooling ◽  
Supersonic Jet Expansion

Mono-, di- and trichlorophenols were measured using resonance-enhanced multiphoton ionization mass spectrometry (MPI-MS) combined with supersonic jet (SSJ) or effusive molecular beam (EMB) spectrometry. All mono- and dichlorophenols, except 2,6-dichlorophenol, provided sharp and structured MPI spectra for the S1←S0 transition. Selectivity and sensitivity were both enhanced when SSJ spectrometry was used, compared with EMB spectrometry, because of a narrower linewidth in the MPI spectrum, given by molecular cooling by supersonic jet expansion. The ionization efficiency decreased with increasing number of chlorine substituents for the chlorophenols, since they have shorter excited-state lifetimes and require three photons for ionization. Some of the chlorophenols, which are toxic themselves, have the potential for use as indicators for analysis of polychlorinated dibenzo- p-dioxin/dibenzofurans in flue gases emitted from an incinerator.

The adsorption of a single water molecule on low-index C3S surfaces: A DFT approach

2019 ◽  
Vol 471 ◽  
pp. 658-663 ◽  
Author(s):  
Yue Zhang ◽  
Xinying Lu ◽  
Dongsheng Song ◽  
Songbai Liu
Keyword(s):  
Water Molecule ◽  
Single Water Molecule

A New Liquid Droplet Laser Desorption Source Combined with Supersonic Jet Expansion: Application to Phenol and its Water Clusters

2014 ◽  
Vol 228 (4-5) ◽  
Author(s):  
Chayan Kanti Nandi ◽  
Hans-Dieter Barth ◽  
Bernhard Brutschy
Keyword(s):  
Gas Phase ◽  
Water Clusters ◽  
Liquid Droplet ◽  
Supersonic Jet ◽  
Laser Desorption ◽  
Laser Source ◽  
Published Data ◽  
Two Photon ◽  
Supersonic Jet Expansion ◽  
Phase Out

AbstractWe have developed a new laser source, for the spectroscopy of nonvolatile molecules in gas phase. It is based on a laser induced liquid bead ion desorption source (LILBID) combined with a supersonic beam. The cold molecules produced with this technique are sampled with Resonant Two Photon Ionization spectroscopy (R2PI) to measurement of the gas phase optical spectra. LILBID allows to bring nonvolatile molecule from liquid phase (out of a droplet) into gas phase, by means of multi photon ablation with IR photons exciting the vibrations of the solvent. Phenol and its different water clusters have been used as an example to demonstrate the method and to standardise the new experimental setup. The recorded R2PI spectral data of phenol monomer and its different water clusters obtained from this laser desorption technique are in very good agreement with the previously published data. This technique opens a new door for the measurement of molecules under microsolvation and potentially for

A Study of Adsorption Behavior of Single Water Molecule on the Surface of Polyhedral Oligomeric Silsesquioxanes

2015 ◽  
Vol 26 (2) ◽  
pp. 541-550
Author(s):  
Li Wang ◽  
Rui-Xia Song ◽  
Min-Si Xin ◽  
Yan Meng ◽  
Wei Feng ◽  
...  
Keyword(s):  
Water Molecule ◽  
Adsorption Behavior ◽  
Polyhedral Oligomeric Silsesquioxanes ◽  
Single Water Molecule

Crystal structures of nickel(II) and copper(Il)-Schiff-bases complexes with tetramic and tetronic acid subunits

1994 ◽  
Vol 209 (12) ◽  
Author(s):  
G. Reck ◽  
B. Schulz ◽  
A. Zschunke ◽  
O. Tietze ◽  
J. Haferkorn
Keyword(s):  
Complex Formation ◽  
Water Molecule ◽  
Crystal Structures ◽  
Schiff Bases ◽  
Water Molecules ◽  
Ligand Molecule ◽  
Tetragonal Pyramid ◽  
Space Group ◽  
Tetronic Acid ◽  
Oxygen Ligand

AbstractN,N′-ethylene-bis-(tetronic-acid-3-formiminato)-copper(II)/K1 crystallizes in space groupN,N′-ethylene-bis-(tetronic-acid-3-formiminato)-nikkel(II)/K2 crystallizes in space groupN,N′-ethylene-bis-(1,5,5-trimethyltetramic-acid-3-formiminato)-copper(II)/K3 crystallizes in space groupIn K1 and K3 copper is coordinated by two nitrogen and two oxygen atoms of the ligand molecule as well as by one water molecule on top of a tetragonal pyramid. In K2 two water molecules are included in the complex formation. These and two nitrogen as well as two oxygen ligand atoms form a nearly regular octahedron.

The Structure and Properties of Water

2016 ◽  
Author(s):  
Bruce C. Bunker ◽  
William H. Casey
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Bond Length ◽  
Electrostatic Interactions ◽  
Structure And Properties ◽  
Oxygen Anion ◽  
Lone Pairs ◽  
Tetrahedral Angle ◽  
Oxide Phases ◽  
Single Water Molecule

Water is one of the most complex fluids on Earth. Even after intense study, there are many aspects regarding the structure, properties, and chemistry of water that are not well understood. In this chapter, we highlight the attributes of water that dictate many of the reactions that take place between water and oxides. We start with a single water molecule and progress to water clusters, then finally to extended liquid and solid phases. This chapter provides a baseline for evaluating what happens when water encounters simple ions, soluble oxide complexes called hydrolysis products, and extended oxide phases. The primary phenomenon highlighted in this chapter is hydrogen bonding. Hydrogen bonding dominates the structure and properties of water and influences many water–oxide interactions. A single water molecule has eight valence electrons around a central oxygen anion. These electrons are contained in four sp3-hybridized molecular orbitals arranged as lobes that extend from the oxygen in a tetrahedral geometry. Each orbital is occupied by two electrons. Two of the lobes are bonded to protons; the other two lobes are referred to as lone pairs of electrons. The H–O–H bond angle of 104.5° is close to the tetrahedral angle of 109.5°. The O–H bond length in a single water molecule is 0.96 Ǻ. It is important to recognize that this bond length is really a measure of the electron density associated with the oxygen lone pair bonded to the proton. This is because a proton is so incredibly small (with an ionic radius of only 1.3·10−5 Ǻ) that it makes no contribution to the net bond length. The entire water molecule has a hard sphere diameter of 2.9 Ǻ, which is fairly typical for an oxygen anion. This means the unoccupied lone pairs are distended relative to the protonated lone pairs, extending out to roughly 1.9 Ǻ. The unequal distribution of charges introduces a dipole within the water molecule that facilitates electrostatic interactions with other molecules.

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