The ground and excited state electron affinities of cytosine and trans-azobenzene

Chen, Edward C. M.; Herder, Charles; Chen, Edward S.

doi:10.1016/j.cplett.2007.04.055

Cited by 13 publications

(7 citation statements)

References 32 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Values in brackets are adiabatic properties corrected for ZPVE calculated at the MP2/pVDZ level. b Experimental (PES) value from Kobayashi et al c Theoretical calculations from Fuechsel et al d Theoretical estimate from Modelli and Burrow e Experimental value from Chen et al f Experimental value from Ingemann et al g Theoretical calculations from Titov et al …”

Section: Resultsmentioning

confidence: 99%

“…Similar values for the VEA and AEA of t- AB reflect the relatively small geometry relaxation of t- AB upon electron attachment, the only significant change being the NN stretching (see Table ). Experimental values for the AEA of t- AB range from 0.57 eV to 1.38 eV …”

Section: Resultsmentioning

confidence: 99%

“…Photoelectron spectroscopy (PES) of azobenzene has been reported by Kobayashi et al Electron transmission spectroscopy (ETS) data on electron attachment energies were discussed by Modelli and Burrow . Proton and electron affinities were also reported. , Electron attachment to azobenzenes are also of fundamental interest in scanning tunneling microscope (STM) induced switching, in which the cis–trans isomerization of individual molecules are triggered by tunneling electrons …”

Section: Introductionmentioning

confidence: 98%

“…Theoretical calculations from Fuechsel et al33 d Theoretical estimate from Modelli and Burrow 35. e Experimental value from Chen et al37 f Experimental value from Ingemann et al36 g Theoretical calculations from Titov et al41 The Journal of Physical Chemistry A…”

mentioning

confidence: 99%

See 3 more Smart Citations

Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene

Martins

Cabral

2019

J. Phys. Chem. A

View full text Add to dashboard Cite

The electron binding energies for the trans and cis conformers of azobenzene (AB), a prototypical photoswitch, were investigated by electron propagator theory (EPT). The EPT results are compared with data from photoelectron and electron transmission spectroscopies and complemented by the calculation of the differences between vertical and adiabatic ionization energies and electron affinities of the AB conformers. These differences are discussed in terms of the geometry changes associated with the processes of ionization and electron attachment. The results pointed out a major difference between these processes when we compare trans-AB and cis-AB. For trans-AB, electron attachment leads to a small geometry change, whereas for cis-AB, it is the ionized structure that keeps some similarity with the neutral species. We emphasize the interest of the present results for a better understanding of recent experiments on the dark cis−trans isomerization in different environments, specifically for azobenzenes in interaction with gold nanoparticles, where the proposed cis−trans isomerization mechanism relies on electron transfer induced isomerization.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

mentioning

confidence: 99%

See 2 more Smart Citations

Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene

Martins

Cabral

2019

J. Phys. Chem. A

View full text Add to dashboard Cite

show abstract

“…Chen, Li and colleagues (Chen et al 2007;Hu et al 2004) that combine to show the potential usefulness of our mechanisms from a biochemical perspective. The work of Csizmadia (Lau et al 2003;Maetzke et al 2007;Sahai et al 2007) has truly demonstrated the efficacy of such mechanisms in the quantification of mutations at specific points.…”

Section: Discussionmentioning

confidence: 99%

Prebiotic Synthesis of Simple Sugars by an Interstellar Formose Reaction

Jalbout

2008

Orig Life Evol Biosph

View full text Add to dashboard Cite

show abstract

[80]Fullerene–amino acid interactions: Theoretical insights

León

Jalbout

Basiuk

2009

Int J of Quantum Chemistry

View full text Add to dashboard Cite

This work reports the interactions of a C80 fullerene species with the 20 naturally occurring amino acids. As a result of the analysis of multiple configurations, we have determined that the most stable C80 complexes form with thiol containing amino acids. The stabilities of the resulting complexes have been classified according to biochemical classifications that are used to develop trends among the calculated data. The computed trends in the dissociation energies are related to the backbone structure of the corresponding amino acids. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010

show abstract

The ground and excited state electron affinities of cytosine and trans-azobenzene

Cited by 13 publications

References 32 publications

Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene

Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene

Prebiotic Synthesis of Simple Sugars by an Interstellar Formose Reaction

[80]Fullerene–amino acid interactions: Theoretical insights

Contact Info

Product

Resources

About