scholarly journals Analysis of the S2←S0 vibronic spectrum of the ortho-cyanophenol dimer using a multimode vibronic coupling approach

2015 ◽  
Vol 142 (8) ◽  
pp. 084308 ◽  
Author(s):  
Sabine Kopec ◽  
Philipp Ottiger ◽  
Samuel Leutwyler ◽  
Horst Köppel
Keyword(s):  
Vibronic Coupling ◽  
Vibronic Spectrum ◽  
Coupling Approach

Magnetic moments of multielectron mixed-valency dimer clusters in a dynamic intermediate vibronic coupling approach

1993 ◽  
Vol 34 (2) ◽  
pp. 184-190
Author(s):  
B. S. Tsukerblat ◽  
V. Ya. Gamurar' ◽  
A. V. Palii ◽  
G. M. Kishinevskaya ◽  
A. S. Berengol'ts
Keyword(s):  
Magnetic Moments ◽  
Vibronic Coupling ◽  
Mixed Valency ◽  
Coupling Approach

THE MULTI-MODE VIBRONIC-COUPLING APPROACH

2004 ◽  
pp. 323-367 ◽  
Author(s):  
Horst Köppel ◽  
Wolfgang Domcke ◽  
Lorenz S. Cederbaum
Keyword(s):  
Vibronic Coupling ◽  
Coupling Approach ◽  
Multi Mode

Glass transition for dipolar hard spheres: a mode-coupling approach

1998 ◽  
Vol 77 (2) ◽  
pp. 305-311 ◽  
Author(s):  
Thomas Scheidsteger, Rolf Schilling
Keyword(s):  
Glass Transition ◽  
Mode Coupling ◽  
Hard Spheres ◽  
Coupling Approach

Convergent Total Synthesis of Principinol D, a Rearranged Kaurane Diterpenoid

2019 ◽  
Author(s):  
Timothy Newhouse ◽  
Aneta Turlik ◽  
Yifeng Chen ◽  
Anthony Scruse
Keyword(s):  
Total Synthesis ◽  
Natural Product ◽  
Late Stage ◽  
Membered Ring ◽  
Entry Point ◽  
Ketone Reduction ◽  
Coupling Approach

<div> <p>The total synthesis of principinol D, a rearranged kaurane diterpenoid, is reported. This grayanane natural product is constructed via a convergent fragment coupling approach, wherein the central 7-membered ring is synthesized at a late stage. The bicyclo[3.2.1]octane fragment is accessed by a Ni-catalyzed α-vinylation reaction. Strategic reductions include a diastereoselective SmI<sub>2</sub>-mediated ketone reduction with PhSH and a new protocol for selective ester reduction in the presence of ketones. The convergent strategy reported herein may be an entry point to the larger class of kaurane diterpenoids.</p> </div>

An alternative model of the vibronic coupling in octahedral complexes

1988 ◽  
Vol 53 (6) ◽  
pp. 1134-1140
Author(s):  
Martin Breza ◽  
Peter Pelikán
Keyword(s):  
Linear Regression ◽  
Alternative Model ◽  
Potential Surface ◽  
Analytical Formula ◽  
Coupling Model ◽  
Regression Method ◽  
Vibronic Coupling ◽  
Linear Regression Method ◽  
Active Systems ◽  
Jahn Teller

It is suggested that for some transition metal hexahalo complexes, the Eg-(a1g + eg) vibronic coupling model is better suited than the classical T2g-(a1g + eg) model. For the former, alternative model, the potential constants in the analytical formula are evaluated from the numerical map of the adiabatic potential surface by using the linear regression method. The numerical values for 29 hexahalo complexes of the 1st row transition metals are obtained by the CNDO/2 method. Some interesting trends of parameters of such Jahn-Teller-active systems are disclosed.

Sign in / Sign up

Export Citation Format

Share Document