Negative Ion Mass Spectra, Electron Affinities, Gas Phase Acidities, Bond Dissociation Energies, and Negative Ion States of Cytosine and Thymine

2000 ◽  
Vol 104 (32) ◽  
pp. 7835-7844 ◽  
Author(s):  
Edward C. M. Chen ◽  
Edward S. Chen
Keyword(s):  
Gas Phase ◽  
Mass Spectra ◽  
Negative Ion ◽  
Bond Dissociation Energies ◽  
Electron Affinities ◽  
Bond Dissociation ◽  
Dissociation Energies

Experimental and computational studies of deuterated ethanols: gas-phase acidities, electron affinities and bond dissociation energies

1993 ◽  
Vol 123 (3) ◽  
pp. 171-185 ◽  
Author(s):  
Thuy Thanh Dang ◽  
Edwin L. Motell ◽  
Michael J. Travers ◽  
Eileen P. Clifford ◽  
G. Barney Ellison ◽  
...  
Keyword(s):  
Gas Phase ◽  
Computational Studies ◽  
Bond Dissociation Energies ◽  
Electron Affinities ◽  
Bond Dissociation ◽  
Dissociation Energies

Summary of gas phase acidity measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A—H) and electron affinities EA(A)

1978 ◽  
Vol 56 (1) ◽  
pp. 1-9 ◽  
Author(s):  
J. B. Cumming ◽  
P. Kebarle
Keyword(s):  
Proton Transfer ◽  
Gas Phase ◽  
Negative Ions ◽  
Bond Dissociation Energies ◽  
Electron Affinities ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Entropy Changes ◽  
Gas Phase Acidity ◽  
Proton Transfer Reactions

The complete ladder of ΔG10 determinations obtained from measurements of some 110 gas phase proton transfer equilibria A1− + A2H = A1H + A2− involving some 60 acids AH and connecting to the standard acid HCl is given. Evaluation of the entropy changes leads to values for the deprotonation energies ΔHD0 and ΔGD0 (at room temperature) corresponding to the gas phase process AH = A− + H+; ΔHD0 = D(A—H) − EA(A) + 313.6 kcal/mol. Comparison of the present data with literature determinations of the bond dissociation energies and electron affinities shows agreement within 2 kcal/mol. Some experimentally determined entropy changes ΔS10 are compared with the theoretically calculated values.

Electron affinities of a homologous series of tertiary alkyl radicals and their C–H bond dissociation energies (BDEs)

Tetrahedron ◽  
2009 ◽  
Vol 65 (8) ◽  
pp. 1655-1659 ◽  
Author(s):  
Panayiotis S. Petrou ◽  
Athanassios V. Nicolaides
Keyword(s):  
Homologous Series ◽  
Bond Dissociation Energies ◽  
Electron Affinities ◽  
Alkyl Radicals ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Tertiary Alkyl

Thermochemistry of Elementary Actinide Sulfide Molecules: A Gas-Phase Study of Curium Sulfide

2010 ◽  
Vol 1264 ◽  
Author(s):  
Cláudia C. L. Pereira ◽  
Joaquim Marçalo ◽  
John K. Gibson
Keyword(s):  
Gas Phase ◽  
Bond Dissociation Energies ◽  
Gas Phase Reactions ◽  
General Applicability ◽  
Molecular Systems ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Phase Study ◽  
Fundamental Understanding ◽  
Actinide Ions

AbstractExperiments to explore the reactivity and thermochemistry of elementary transuranium sulfide molecules have been initiated to expand the basis for a fundamental understanding of actinide bonding, and to enable the development of advanced theoretical methodologies which will be of general applicability to more complex molecular systems. Bimolecular gas-phase reactions between transuranium actinide ions and neutral reagents are employed to obtain thermochemical information. The initial actinide sulfide studies have focused on obtaining the 298 K bond dissociation energy for the CmS+ ion, D[Cm+-S] = 475±37 kJ mol-1; from this result and an estimate of IE[CmS] ≈ IE[CmO] + 0.5 eV, we obtain D[Cm-S] = 563±64 kJ mol-1. The bond dissociation energies, D[Cm+-S] and D[Cm-S] are approximately 200 kJ mol-1 and 150 kJ mol-1 lower than for the corresponding oxides, CmO+ and CmO. The nature of the bonding in the CmS+ ion appears to be generally similar to that in other oxophilic metal sulfides. Comparisons with previous bond dissociation energies reported for ThS and US may suggest a difference in the An-S bonds for these early actinide sulfides as compared with CmS.

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