Electronic structure and dissociation energy of the molybdenum-to-molybdenum triple bond

1983 ◽  
Vol 22 (5) ◽  
pp. 728-734 ◽  
Author(s):  
Randall A. Kok ◽  
M. B. Hall
Keyword(s):  
Electronic Structure ◽  
Dissociation Energy ◽  
Triple Bond

scholarly journals The boron–boron triple bond in NHC→BB←NHC

2015 ◽  
Vol 6 (7) ◽  
pp. 4089-4094 ◽  
Author(s):  
Nicole Holzmann ◽  
Markus Hermann ◽  
Gernot Frenking
Keyword(s):  
Electronic Structure ◽  
Triple Bond ◽  
Convincing Evidence

Thorough examination of the electronic structure of the compound B2(NHCMe)2 provides convincing evidence for a BB triple bond.

scholarly journals Dissociation energy and electronic structure of the low valent lanthanide compound NdF+

2016 ◽  
Vol 116 (10) ◽  
pp. 791-794 ◽  
Author(s):  
Christopher South ◽  
George Schoendorff ◽  
Angela K. Wilson
Keyword(s):  
Electronic Structure ◽  
Dissociation Energy ◽  
Lanthanide Compound ◽  
Low Valent

Electronic structure of the first row hydrides III. Predissociation by rotation in the A 1 II state and the dissociation energy of BH

1961 ◽  
Vol 261 (1305) ◽  
pp. 237-245 ◽  
Keyword(s):  
Electronic Structure ◽  
Potential Energy ◽  
Ab Initio ◽  
Dissociation Energy ◽  
Spectroscopic Data ◽  
Potential Energy Curve ◽  
Theoretical Calculations ◽  
Zero Order ◽  
Energy Curve ◽  
Atomic Correlation

The potential energy curve of the A 1 II state of BH is determined by combining spectroscopic results with theoretical calculations. The dissociation energy D o (BH) is found to be 3·39 ± 0·04 eV. The calculation employing the intra-atomic correlation correction (but not the ab initio orbital calculation) leads to a potential energy curve with a maximum as well as a minimum in agreement with Herzberg & Mundie’s (1940) interpretation of the spectroscopic data. The abnormal shape of the curve may be attributed to the crossing of two zero-order curves arising from the limits B( s 2 p , 2 P 0 ) + H( s , 2 S ) and B( sp 2 , 2 D ) + H( s , 2 S ).

EELS Measurement of the Local Electronic Structure of Copper Atoms Segregated to Aluminum Grain Boundaries

1996 ◽  
Vol 54 ◽  
pp. 342-343
Author(s):  
S.J. Splinter ◽  
J. Bruley ◽  
P.E. Batson ◽  
D.A. Smith ◽  
R. Rosenberg
Keyword(s):  
Electronic Structure ◽  
Grain Boundaries ◽  
Boundary Segregation ◽  
Thin Layers ◽  
Nominal Composition ◽  
Spatially Resolved ◽  
Service Lifetime ◽  
Heat Treated ◽  
Probe Size ◽  
Local Electronic Structure

It has long been known that the addition of Cu to Al interconnects improves the resistance to electromigration failure. It is generally accepted that this improvement is the result of Cu segregation to Al grain boundaries. The exact mechanism by which segregated Cu increases service lifetime is not understood, although it has been suggested that the formation of thin layers of θ-CuA12 (or some metastable substoichiometric precursor, θ’ or θ”) at the boundaries may be necessary. This paper reports measurements of the local electronic structure of Cu atoms segregated to Al grain boundaries using spatially resolved EELS in a UHV STEM. It is shown that segregated Cu exists in a chemical environment similar to that of Cu atoms in bulk θ-phase precipitates.Films of 100 nm thickness and nominal composition Al-2.5wt%Cu were deposited by sputtering from alloy targets onto NaCl substrates. The samples were solution heat treated at 748K for 30 min and aged at 523K for 4 h to promote equilibrium grain boundary segregation. EELS measurements were made using a Gatan 666 PEELS spectrometer interfaced to a VG HB501 STEM operating at 100 keV. The probe size was estimated to be 1 nm FWHM. Grain boundaries with the narrowest projected width were chosen for analysis. EDX measurements of Cu segregation were made using a VG HB603 STEM.

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