Alkyne addition to the semiinterstitial boron atom in homometallic and heterometallic butterfly clusters: molecular and electronic structures of HRu4(CO)12BHC(Ph)CPhH and H(CpW)Ru3(CO)11BC(Ph)CPhH

1992 ◽  
Vol 11 (12) ◽  
pp. 4048-4056 ◽  
Author(s):  
Catherine E. Housecroft ◽  
James S. Humphrey ◽  
Ann K. Keep ◽  
Dorn M. Matthews ◽  
Nicola J. Seed ◽  
...  
Keyword(s):  
Boron Atom ◽  
Electronic Structures ◽  
Alkyne Addition

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

1989 ◽  
Vol 28 (Part 1, No. 11) ◽  
pp. 2234-2239 ◽  
Author(s):  
Hidehiro Yasuda ◽  
Hiroshi Nakayama ◽  
Hiroshi Fujita
Keyword(s):  
Boron Atom ◽  
Electronic Structures

scholarly journals Symmetric Fluoroborate and its Boron Modification: Crystal and Electronic Structures

Crystals ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 662
Author(s):  
Błażej Dziuk ◽  
Borys Ośmiałowski ◽  
Bartosz Zarychta ◽  
Krzysztof Ejsmont ◽  
Lilianna Chęcińska
Keyword(s):  
Charge Transfer ◽  
Boron Atom ◽  
Electronic Structures ◽  
Steric Effect ◽  
Crystal Packing ◽  
Real Space ◽  
Hirshfeld Surface ◽  
Boron Modification ◽  
Donor Acceptor ◽  
A Charge

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.

The Nature of Oxide Surfaces: Topographic and Electronic Structure

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.

Advanced Electronic Structures

1992 ◽  
Author(s):  
Mark van Schilfgaarde
Keyword(s):  
Electronic Structures

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

1995 ◽  
Vol 60 (4) ◽  
pp. 527-536 ◽  
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.

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

1999 ◽  
Vol 64 (6) ◽  
pp. 1013-1027 ◽  
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.

ESR, spectroscopic, and quantum-chemical studies on the electronic structures of complexes formed by Cu(I) with radicals

1986 ◽  
Vol 22 (1) ◽  
pp. 27-33
Author(s):  
N. P. Gritsan ◽  
O. M. Usov ◽  
N. V. Shokhirev ◽  
I. V. Khmelinskii ◽  
V. F. Plyusnin ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Quantum Chemical ◽  
Chemical Studies ◽  
Quantum Chemical Studies
Sign in / Sign up

Export Citation Format

Share Document