Multidimensional Electron Transfer Pathways in a Tetrahedral Tetrakis{4-[N,N-di(4-methoxyphenyl)amino]phenyl}Phosphonium Salt:  One-Step vs Two-Step Mechanism†

2001 ◽  
Vol 105 (32) ◽  
pp. 7751-7758 ◽  
Author(s):  
Christoph Lambert ◽  
Gilbert Nöll ◽  
Frank Hampel
Keyword(s):  
Electron Transfer ◽  
Phosphonium Salt ◽  
One Step ◽  
Electron Transfer Pathways ◽  
Step Mechanism

scholarly journals Electron transfer pathways in photoexcited lanthanide(III) complexes of picolinate ligands

2021 ◽  
Author(s):  
Daniel Kovacs ◽  
Daniel Kocsi ◽  
Jordann A. L. Wells ◽  
Salauat R. Kiraev ◽  
Eszter Borbas
Keyword(s):  
Electron Transfer ◽  
Metal Binding ◽  
Binding Sites ◽  
Secondary Amide ◽  
Metal Binding Sites ◽  
Electron Transfer Pathways

A series of luminescent lanthanide(III) complexes consisting of 1,4,7-triazacyclononane frameworks and three secondary amide-linked carbostyril antennae were synthesised. The metal binding sites were augmented with two pyridylcarboxylate donors yielding octadentate...

Control of Electron Transfer Pathways in a Dye-Sensitized Solar Cell

2006 ◽  
Vol 97 (20) ◽  
Author(s):  
Ben Brüggemann ◽  
Juan Angel Organero ◽  
Torbjörn Pascher ◽  
Tõnu Pullerits ◽  
Arkady Yartsev
Keyword(s):  
Electron Transfer ◽  
Solar Cell ◽  
Dye Sensitized Solar Cell ◽  
Dye Sensitized ◽  
Electron Transfer Pathways

One and two electron transfer pathways in the photoreduction of flavin

1982 ◽  
Vol 54 (9) ◽  
pp. 1651-1665 ◽  
Author(s):  
R. Traber ◽  
H. E. A. Kramer ◽  
Peter Hemmerich
Keyword(s):  
Electron Transfer ◽  
Electron Transfer Pathways

scholarly journals Application of β-Phosphorylated Nitroethenes in [3+2] Cycloaddition Reactions Involving Benzonitrile N-Oxide in the Light of a DFT Computational Study

Organics ◽  
2021 ◽  
Vol 2 (1) ◽  
pp. 26-37
Author(s):  
Karolina Zawadzińska ◽  
Karolina Kula
Keyword(s):  
Density Functional ◽  
Reaction Path ◽  
Computational Study ◽  
Cyano Group ◽  
Cycloaddition Reactions ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Reaction Channels ◽  
One Step ◽  
Step Mechanism

The regiochemistry of [3+2] cycloaddition (32CA) processes between benzonitrile N-oxide 1 and β-phosphorylated analogues of nitroethenes 2a–c has been studied using the Density Functional Theory (DFT) at the M062X/6-31+G(d) theory level. The obtained results of reactivity indices show that benzonitrile N-oxide 1 can be classified both as a moderate electrophile and moderate nucleophile, while β-phosphorylated analogues of nitroethenes 2a–c can be classified as strong electrophiles and marginal nucleophiles. Moreover, the analysis of CDFT shows that for [3+2] cycloadditions with the participation of β-phosphorylatednitroethene 2a and β-phosphorylated α-cyanonitroethene 2b, the more favored reaction path forms 4-nitro-substituted Δ2-isoxazolines 3a–b, while for a reaction with β-phosphorylated β-cyanonitroethene 2c, the more favored path forms 5-nitro-substituted Δ2-isoxazoline 4c. This is due to the presence of a cyano group in the alkene. The CDFT study correlates well with the analysis of the kinetic description of the considered reaction channels. Moreover, DFT calculations have proven the clearly polar nature of all analyzed [3+2] cycloaddition reactions according to the polar one-step mechanism.

Dual electron transfer pathways from the excited C60 radical anion: enhanced reactivities due to the photoexcitation of reaction intermediates

2015 ◽  
Vol 17 (46) ◽  
pp. 31030-31038 ◽  
Author(s):  
Mamoru Fujitsuka ◽  
Tatsuya Ohsaka ◽  
Tetsuro Majima
Keyword(s):  
Electron Transfer ◽  
Radical Anion ◽  
Reaction Intermediates ◽  
Electron Transfer Pathways

The excited C60 radical anion showed enhanced electron transfer.

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