scholarly journals High spin chemistry underlying organic molecular magnetism

2004 ◽  
Vol 80 (2) ◽  
pp. 29-40 ◽  
Author(s):  
Koichi ITOH ◽  
Takeji TAKUI
Keyword(s):  
High Spin ◽  
Molecular Magnetism ◽  
Spin Chemistry

Electronic and molecular structures of C60-based polyanionic high-spin molecular clusters: Direct spin identification and electron spin transient nutation spectroscopy for high-spin chemistry

2008 ◽  
Vol 361 (14-15) ◽  
pp. 4031-4037 ◽  
Author(s):  
Shigeaki Nakazawa ◽  
Kazunobu Sato ◽  
Daisuke Shiomi ◽  
M. Luisa T.M.B. Franco ◽  
M. Celina R.L.R. Lazana ◽  
...  
Keyword(s):  
High Spin ◽  
Electron Spin ◽  
Molecular Clusters ◽  
Molecular Structures ◽  
Spin Chemistry

New Aspects of High-Spin Chemistry

1995 ◽  
Vol 271 (1) ◽  
pp. 129-146 ◽  
Author(s):  
Koichi Itoh ◽  
Takeji Takui ◽  
Yoshio Teki ◽  
Kazunobu Sato ◽  
Daisuke Shiomi ◽  
...  
Keyword(s):  
High Spin ◽  
Spin Chemistry

Transition moment spectroscopy-based simulation of 2D electron spin transient nutation spectra for high spin chemistry

2001 ◽  
Vol 121 (1-3) ◽  
pp. 1822-1823 ◽  
Author(s):  
H. Matsuoka ◽  
K. Sato ◽  
D. Shiomi ◽  
T. Takui
Keyword(s):  
High Spin ◽  
Electron Spin ◽  
Transition Moment ◽  
Spin Chemistry

Evidence for high-spin-to-low-spin transition under pressure in Fe 72 Pt 28 Invar alloy

2000 ◽  
Vol 80 (2) ◽  
pp. 155-163 ◽  
Author(s):  
S. Odin, F. Baudelet, E. Dartyge, J. P
Keyword(s):  
High Spin ◽  
Spin Transition ◽  
Invar Alloy

HIGH SPIN ISOMERS IN 153Er

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

DESCRIPTION OF HIGH SPIN STATES

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

Resolving the Quadruple Bonding Conundrum in C2 Using Insights Derived from Excited State Potential Energy Surfaces: A Molecular Orbital Perspective

2019 ◽  
Author(s):  
Ishita Bhattacharjee ◽  
Debashree Ghosh ◽  
Ankan Paul
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Molecular Orbital ◽  
High Spin ◽  
Potential Energy Surfaces ◽  
Valence Bond ◽  
Deep Minimum ◽  
State Potential ◽  
Energy Surfaces ◽  
Mo Theory

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.

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