Homolytic bond dissociation energies associated with acyl radicals and electron demands of acyl groupsElectronic supplementary information (ESI) available: Effects of method and basis on geometry optimizations, radical structures, bond orders, spins and bond lengths. See http://www.rsc.org/suppdata/cp/b2/b211078d/

2003 ◽  
Vol 5 (4) ◽  
pp. 685-690 ◽  
Author(s):  
Yong Feng ◽  
Hao Huang ◽  
Lei Liu ◽  
Qing-Xiang Guo
Keyword(s):  
Supplementary Information ◽  
Bond Dissociation Energies ◽  
Bond Orders ◽  
Bond Lengths ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Acyl Radicals

scholarly journals Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium–Ligand Bonds

2020 ◽  
Vol 124 (47) ◽  
pp. 9757-9770
Author(s):  
Junwei Lucas Bao ◽  
Bradley K. Welch ◽  
Inga S. Ulusoy ◽  
Xin Zhang ◽  
Xuefei Xu ◽  
...  
Keyword(s):  
Bond Dissociation Energies ◽  
Bond Lengths ◽  
Bond Dissociation ◽  
Dissociation Energies

Bond dissociation energies and bond orders for diatomic alkali halides

1985 ◽  
Vol 67 (3) ◽  
pp. 187-191 ◽  
Author(s):  
Rajuru R. Reddy ◽  
Agarala S. R. Reddy ◽  
Vanka Krishna Reddy
Keyword(s):  
Alkali Halides ◽  
Bond Dissociation Energies ◽  
Bond Orders ◽  
Bond Dissociation ◽  
Dissociation Energies

scholarly journals Bond dissociation energies and bond orders of diatomic alkali-earth halides

1985 ◽  
Vol 63 (11) ◽  
pp. 3174-3176 ◽  
Author(s):  
R. R. Reddy ◽  
A. S. R. Reddy ◽  
V. Krishna Reddy
Keyword(s):  
Bond Order ◽  
Bond Dissociation Energies ◽  
Bond Orders ◽  
Bond Energies ◽  
Alkali Earth ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Simplified Formula ◽  
Good Agreement

New relations are proposed for the determination of bond dissociation energies of diatomic alkali-earth halides. The relations are[Formula: see text]and[Formula: see text]where [Formula: see text], Δx represents Pauling's electronegativity differences (XA − XB) and rc is the internuclear distance. The estimated bond energies are in reasonably good agreement with the literature values. The errors calculated with our suggested relations for bond energies are 9.9% and 7.5% respectively. The corresponding errors evaluated from Matcha's and Pauling's equations are 6.1 % and 48.2%, respectively. A simplified formula for the determination of bond orders of alkali-earth halides has been suggested. The formula has the form [Formula: see text]. The definition for bond order given by Parr and Borkman differs from that given by Politzer. Thorough investigation of the two statements reveals that the Politzer's definition is a better one.

Introduction to the discussion

1951 ◽  
Vol 207 (1088) ◽  
pp. 1-5 ◽  
Keyword(s):  
Bond Energy ◽  
Great Part ◽  
Bond Dissociation Energies ◽  
Bond Lengths ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
In The Beginning

There is little ambiguity when one speaks of bond lengths, but the term ‘bond energy’ has been given several interpretations and it would be useful if we had these in mind in our discussion. In the beginning it was a useful simplification to assume as did Fajans that the energy required to break a particular bond was a constant characteristic of that bond and independent of the molecular environment. Now we know that this is not the case and indeed a great part of our discussion will be concerned with the differences in bond dissociation energies.

scholarly journals Experimental bond dissociation energies of benzylpyridinium thermometer ions determined by threshold-CID and RRKM modeling

2017 ◽  
Vol 417 ◽  
pp. 69-75 ◽  
Author(s):  
David Gatineau ◽  
Antony Memboeuf ◽  
Anne Milet ◽  
Richard B. Cole ◽  
Héloïse Dossmann ◽  
...  
Keyword(s):  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Thermometer Ions
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