Electronic Structures Localized at the Boron Atom in Amorphous Fe-B and Fe-B-P Alloys

Four boron-carrying molecules were synthesized and purified. These were found to be (a) relatively neutral with respect to the parent BF derivative and (b) functionalized by donor–acceptor groups resulting in a charge transfer within the molecule. The study discusses the steric effect and the influence of the substitution of the side rings on the surroundings of the boron atom. Electronic structures were characterized by real-space bonding indicators. Hirshfeld surface and energy frameworks tools were applied to examine the crystal packing features.

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The Nature of Oxide Surfaces: Topographic and Electronic Structure

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100150666 ◽

1993 ◽

Vol 51 ◽

pp. 966-967

Author(s):

Dawn A. Bonnell ◽

Yong Liang

Keyword(s):

Transition Metal Oxides ◽

Electronic Structures ◽

Recent Progress ◽

Spatial Localization ◽

Level Of Detail ◽

Scanning Tunneling ◽

Oxide Surfaces ◽

Tunneling Microscopy ◽

Considerable Effort ◽

Complete Understanding

Recent progress in the application of scanning tunneling microscopy (STM) and tunneling spectroscopy (STS) to oxide surfaces has allowed issues of image formation mechanism and spatial resolution limitations to be addressed. As the STM analyses of oxide surfaces continues, it is becoming clear that the geometric and electronic structures of these surfaces are intrinsically complex. Since STM requires conductivity, the oxides in question are transition metal oxides that accommodate aliovalent dopants or nonstoichiometry to produce mobile carriers. To date, considerable effort has been directed toward probing the structures and reactivities of ZnO polar and nonpolar surfaces, TiO2 (110) and (001) surfaces and the SrTiO3 (001) surface, with a view towards integrating these results with the vast amount of previous surface analysis (LEED and photoemission) to build a more complete understanding of these surfaces. However, the spatial localization of the STM/STS provides a level of detail that leads to conclusions somewhat different from those made earlier.

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Paramagnetic NMR Spectroscopy as a Tool for Studying the Electronic Structures of Lanthanide and Transition Metal Complexes

INEOS OPEN ◽

10.32931/io1922r ◽

2020 ◽

Vol 2 (5) ◽

pp. 153-162

Author(s):

A. A. Pavlov ◽

Keyword(s):

Nmr Spectroscopy ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Electronic Structures ◽

Paramagnetic Nmr

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Crystal, molecular, and electronic structures and spectroscopic characteristics of 3-[3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-idene]-2-pyruvic acid N-hydroxyamide

Журнал структурной химии ◽

10.26902/jsc_id40725 ◽

2019 ◽

Vol 60 (9) ◽

Keyword(s):

Pyruvic Acid ◽

Electronic Structures ◽

Spectroscopic Characteristics

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Advanced Electronic Structures

10.21236/ada258401 ◽

1992 ◽

Author(s):

Mark van Schilfgaarde

Keyword(s):

Electronic Structures

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On the Structure of Lead(II) Complexes in Aqueous Solutions. I. Trinuclear Clusters

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19950527 ◽

1995 ◽

Vol 60 (4) ◽

pp. 527-536 ◽

Cited By ~ 10

Author(s):

Martin Breza ◽

Alena Manová

Keyword(s):

Quantum Chemistry ◽

Aqueous Solutions ◽

Electronic Structures ◽

Mndo Method ◽

Model Systems ◽

Trinuclear Clusters ◽

The Stability ◽

Semiempirical Mndo

Using semiempirical MNDO method of quantum chemistry the optimal geometries and corresponding electronic structures of [Pb3(OH)n]6-n model systems as well as of their hydrated [Pb3(OH)n(H2O)8-n]6-n analogues (n = 4, 5) are investigated. The most stable trinuclear lead(II) complexes present in aqueous solutions correspond to cyclo-(μ3-OH)(μ2-OH)3Pb32+, Pb(μ-OH)2Pb(μ-OH)2Pb2+, cyclo-(μ3-OH)2(μ2-OH)3Pb3+, Pb(OH)(μ-OH)2Pb(μ-OH)Pb(OH)+ and Pb(OH)(μ-OH)2Pb(μ-OH)2Pb+ systems. The key role of OH bridges (by vanishing direct Pb-Pb bonds) on the stability of individual isomers is discussed.

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Building a Picture of Heteroborane Isomerisation: Synthesis and Characterisation of the 10-(Dialkyl- sulfane)-7,8-diphenyl-7,8-dicarba-nido-undecaboranes 7,8-Ph2-10-L-7,8-nido-C2B9H10 (L = SMe2, SMeEt, SEt2) and of Intermediate and Isomerised Products Arising from Metallation of the First of These

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19991013 ◽

1999 ◽

Vol 64 (6) ◽

pp. 1013-1027 ◽

Cited By ~ 21

Author(s):

Shirley Dunn ◽

Rhona M. Garrioch ◽

Georgina M. Rosair ◽

Lorraine Smith ◽

Alan J. Welch

Keyword(s):

Boron Atom ◽

Experimental Information ◽

Crystallographic Study

Three new, substituted, nido carboranes, 7,8-Ph2-10-(SMe2)-7,8-nido-C2B9H10 (1a), 7,8-Ph2-10- (SMeEt)-7,8-nido-C2B9H10 (1b) and 7,8-Ph2-10-(SEt2)-7,8-nido-C2B9H10 (1c) have been synthesised and characterised, including a crystallographic study of the first. Deprotonation of 1a followed by treatment with (MeCN)2(CO)2MoBr(η-C3H5) at 0 °C affords the non-icosahedral 1,2-Ph2-4-(SMe2)-5-(η-C3H5)-5,5-(CO)2-5,1,2-closo-MoC2B9H8 (2a), which on subsequent warming transforms into icosahedral 2,8-Ph2-5-(SMe2)-1-(η-C3H5)-1,1-(CO)2-1,2,8-closo- MoC2B9H8 (3a). It is argued that under the conditions of these rearrangements the B-S bond is likely to remain intact, and consequently that the identity of the SMe2-labelled boron atom in 3a affords useful experimental information on the course of the isomerisation.

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