X-ray photoelectron spectroscopy of tin. I. Hexahalostannates

Swartz, W. E.; Watts, Plato H.; Lippincott, Ellis R.; Watts, J. C.; Huheey, James E.

doi:10.1021/ic50117a014

Cited by 31 publications

(9 citation statements)

References 3 publications

(3 reference statements)

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“…15 and 24)] by pointing toward interactions with the SiO 2 and the first layers of SnO 2 . This effect of the electronegativity of atoms on binding energy values is described in more detail by Swartz et al 25 The results of these deposition experiments with MBTC are supporting our idea of an acidbase hydrolysis reaction mechanism without the need of gasphase reactions. The lack of any evidence for grafted Sn-Cl species using XPS nor for a MBTC-H 2 O complex using mass spectrometry together with the fact that reaction of the tin precursor with the substrate is already possible at room temperature are strong indications that the Sn-Cl bonds in MBTC are highly reactive toward surfaces, without the need to invoke any secondary tin species, by radical chemistry or complexation of water molecules.…”

Section: Resultssupporting

confidence: 85%

X-ray photoelectron spectroscopy study on the chemistry involved in tin oxide film growth during chemical vapor deposition processes

Mannie

Gerritsen

Abbenhuis

et al. 2012

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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The chemistry of atmospheric pressure chemical vapor deposition (APCVD) processes is believed to be complex, and detailed reports on reaction mechanisms are scarce. Here, the authors investigated the reaction mechanism of monobutyl tinchloride (MBTC) and water during SnO2 thin film growth using x-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). XPS results indicate an acid–base hydrolysis reaction mechanism, which is tested with multilayer experiments, demonstrating self-terminating growth. In-house developed TEM wafers are used to visualize nucleation during these multilayer experiments, and results are compared with TEM results of APCVD samples. Results show almost identical nucleation behavior implying that their growth mechanism is identical. Our experiments suggest that in APCVD, when using MBTC and water, SnO2 film growth occurs via a heterolytic bond splitting of the Sn-Cl bonds without the need to invoke gas-phase radical or coordination chemistry of the MBTC precursor.

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Section: Resultssupporting

confidence: 85%

X-ray photoelectron spectroscopy study on the chemistry involved in tin oxide film growth during chemical vapor deposition processes

Mannie

Gerritsen

Abbenhuis

et al. 2012

Journal of Vacuum Science &Amp; Technology A: Vacuum, Surfaces, and Films

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“…A number of examples of this have been observed and discussed [13][14][15][16][19][20][21][22][23][24]. For instance, in a recent computational study of the electrostatic potentials associated with naphthalene derivatives, we found evidence that the electron-attracting tendencies of the halogens in 1-halonaphthalenes increase in the order F < Br < CI [24].…”

Section: 'R -I -A (5)mentioning

confidence: 78%

“…It means that an atom (or group) with a large value of ~ may be more negative, in a given molecule, than another that has a greater electronegativity, and thus a stronger initial attraction for electronic charge, but is not able to accommodate as much of it. The recognition of this has made it possible to explain a considerable variety of observations, many of which seem to be anomalous or contradictory [13][14][15][16][19][20][21][22][23][24].…”

Section: Charge Capacitymentioning

confidence: 99%

Charge capacities and shell structures of atoms

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This paper focuses upon two important features of atoms: their charge capacities and their shell structures. The charge capacity ~c is a measure of an atom's ability to accommodate a gain or loss of electronic charge in the process of forming a molecule. Estimated values of ~: are presented for the atoms Li-Xe. The overall trend is that as the inherent (neutral atom) electronegativity increases, decreases. The shell structure of an atom can be discerned by plotting its local ionization energy ](r) against radial distance from the nucleus; it decreases in a roughly stepwise manner and the inflection points correspond to meaningful boundaries between the electron shells. An effective "outer radius" rs for an atom can be defined in terms of the sphere that encompasses all but 0.2 of its electrons. For nearly three-fourths of the atoms, the outer shell is found to be 97% or more of the total volume. The computed populations, radii and volumes of all of the shells are presented for the atoms Li-Xe, as well as the magnitudes of i(r) at all shell boundaries. Good correlations exist between atomic polarizability, I(rs), ~ and outer shell electron density. It is suggested that ](r) can be used as a measure of local polarizability, c~(r), in atoms and molecules.

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“…Table I contains the electrostatic potentials at the nuclei ( V 0 ) and density at the nucleus (ρ 0 ) as computed by the AIM method. From very high level extended‐Gaussian‐basis CI molecular wave functions calculations for ρ 0 on oxygen 12–21, our methods yield an average error of around 1.27%.…”

Section: Resultsmentioning

confidence: 97%

“…Our potential–density relationships express the electrostatic potential of a diatomic molecule at one nucleus. Because the signals obtained in Mossbauer spectroscopy depend on densities at the nuclei 14–16, our relationships can provide a link between this form of measurement and electron spectroscopy. However, this is by no means a direct relationship for molecules, and between the spectra themselves, but it is a good beginning.…”

Section: Discussionmentioning

confidence: 99%

Electrostatic potential–density relationships in molecules

Jalbout

2007

Int J of Quantum Chemistry

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ABSTRACT:In this work, we present Hartree-Fock and density functional theory nuclear electrostatic potential-density relationships for several homonuclear diatomic molecules. The results of our calculations are encouraging with relatively low errors in the energies. Implications for the application of this work to novel molecular energy equations as well as the need for further improvement of these newly proposed relationships in molecules have been addressed.

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X-ray photoelectron spectroscopy of tin. I. Hexahalostannates

Cited by 31 publications

References 3 publications

X-ray photoelectron spectroscopy study on the chemistry involved in tin oxide film growth during chemical vapor deposition processes

X-ray photoelectron spectroscopy study on the chemistry involved in tin oxide film growth during chemical vapor deposition processes

Charge capacities and shell structures of atoms

Electrostatic potential–density relationships in molecules

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