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1.
J Phys Chem B ; 113(24): 8201-5, 2009 Jun 18.
Artigo em Inglês | MEDLINE | ID: mdl-19473020

RESUMO

Oxygen K absorption and emission spectra of water molecules confined in dodecyltrimethyl ammonium chloride micelle structures are presented. The local electronic structure of the water molecules is found to be dramatically different from the electronic structure of water molecules in the gas-phase as well as in liquid water. Hybridization with states of the ions in the surrounding ions is directly observed, and evidence for stabilization of the water molecules relative to molecules in bulk water is found.


Assuntos
Elétrons , Micelas , Compostos de Amônio Quaternário/química , Água/química , Modelos Moleculares , Espectrometria por Raios X
2.
J Phys Chem B ; 113(49): 16002-6, 2009 Dec 10.
Artigo em Inglês | MEDLINE | ID: mdl-19916538

RESUMO

Nitrogen and oxygen K emission spectra of glycine in the form of anions, zwitterions, and cations in aqueous solution are presented. It is shown that protonation has a dramatic influence on the local electronic structure and that the functional groups give a distinct spectral fingerprint.


Assuntos
Elétrons , Glicina/química , Água/química , Concentração de Íons de Hidrogênio , Nitrogênio/química , Oxigênio/química , Soluções , Espectrometria por Raios X
3.
J Phys Chem A ; 111(39): 9662-9, 2007 Oct 04.
Artigo em Inglês | MEDLINE | ID: mdl-17850051

RESUMO

Via fluorescence yield (FY) and resonant inelastic scattering spectroscopy in the soft X-ray range we find that soft X-rays induce formation of N2 molecules in solid NH4Cl and in related compounds. The nitrogen molecules form weak bonds in NH4Cl, so that a substantial fraction of the molecules remains in the sample. From measurements of the FY as a function of exposure and temperature, the rates for the photochemical processes are estimated. At elevated temperatures (363 K), several nitrogen atoms are removed from the sample per incoming photon. At lower temperatures (233 K), the rate is reduced to around 0.02 nitrogen atoms for each incoming photon. Virtually all these atoms form N2 molecules which are bound in the sample. The generality and implications of these results are briefly discussed.


Assuntos
Luz , Nitrogênio/química , Fotoquímica/métodos , Compostos de Amônio Quaternário/química , Físico-Química/métodos , Cristalização , Hidrogênio/química , Modelos Estatísticos , Conformação Molecular , Fótons , Espalhamento de Radiação , Espectrometria de Fluorescência/métodos , Espectrometria por Raios X/métodos , Temperatura , Raios X
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