A Reactive, Photogenerated High-Spin (S = 2) FeIV(O) Complex via O2 Activation

Author(s):  
Jesse B. Gordon ◽  
Therese Albert ◽  
Aniruddha Dey ◽  
Sinan Sabuncu ◽  
Maxime A. Siegler ◽  
...  
Keyword(s):  
2000 ◽  
Vol 80 (2) ◽  
pp. 155-163 ◽  
Author(s):  
S. Odin, F. Baudelet, E. Dartyge, J. P

1980 ◽  
Vol 41 (C10) ◽  
pp. C10-39-C10-42 ◽  
Author(s):  
D. Horn ◽  
G. R. Young ◽  
C. J. Lister ◽  
C. Baktash
Keyword(s):  

1980 ◽  
Vol 41 (C10) ◽  
pp. C10-143-C10-154 ◽  
Author(s):  
A. Faessler

2019 ◽  
Author(s):  
Ishita Bhattacharjee ◽  
Debashree Ghosh ◽  
Ankan Paul

The question of quadruple bonding in C<sub>2</sub> has emerged as a hot button issue, with opinions sharply divided between the practitioners of Valence Bond (VB) and Molecular Orbital (MO) theory. Here, we have systematically studied the Potential Energy Curves (PECs) of low lying high spin sigma states of C<sub>2</sub>, N<sub>2</sub> and Be<sub>2</sub> and HC≡CH using several MO based techniques such as CASSCF, RASSCF and MRCI. The analyses of the PECs for the<sup> 2S+1</sup>Σ<sub>g/u</sub> (with 2S+1=1,3,5,7,9) states of C<sub>2</sub> and comparisons with those of relevant dimers and the respective wavefunctions were conducted. We contend that unlike in the case of N<sub>2</sub> and HC≡CH, the presence of a deep minimum in the <sup>7</sup>Σ state of C<sub>2</sub> and CN<sup>+</sup> suggest a latent quadruple bonding nature in these two dimers. Hence, we have struck a reconciliatory note between the MO and VB approaches. The evidence provided by us can be experimentally verified, thus providing the window so that the narrative can move beyond theoretical conjectures.


1980 ◽  
Vol 45 (6) ◽  
pp. 1669-1676 ◽  
Author(s):  
Pavel Kubáček

The first step of electrochemical oxidation of 2-phenyl- and 2-(4-tolyl)-1,3,4,7-tetramethylisoindoles in anhydrous acetonitrile produces relatively stable cationradicals which have been studied by means of EPR spectroscopy using the method of internal electrochemical generation of radicals under reduced temperature. The same electrochemical behaviour of the both studied derivatives and identical EPR spectra of their cationradicals can be explained within the Huckel MO method. The largest contribution to the magnitude of splitting constant of nitrogen nucleus is due to π-σ-spin polarization of C-N bonds caused by high spin abundance of pz-AO of carbon atoms. Half-life of decomposition of the studied cationradicals is 4 min at -30°C.


1999 ◽  
Author(s):  
E. Farnea ◽  
A. Gadea ◽  
G. de Angelis ◽  
J. Eberth ◽  
T. Steinhardt ◽  
...  
Keyword(s):  

CrystEngComm ◽  
2021 ◽  
Vol 23 (15) ◽  
pp. 2854-2861
Author(s):  
Kristian Handoyo Sugiyarto ◽  
Djulia Onggo ◽  
Hiroki Akutsu ◽  
Varimalla Raghavendra Reddy ◽  
Hari Sutrisno ◽  
...  

Mononuclear complex [Fe(3-bpp)2](CF3COO)2 exhibits a thermal (HS + HS) ⇋ (HS + LS) transition at ∼226 K which is not associated with any crystallographic transition.


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