Singlet–triplet excitation energies of naphthyl cations: High level composite method calculations suggest a singlet ground state

2012 ◽  
Vol 983 ◽  
pp. 69-75 ◽  
Author(s):  
Sierra Rayne ◽  
Kaya Forest
Keyword(s):  
Ground State ◽  
Singlet Ground State ◽  
Excitation Energies ◽  
Triplet Excitation ◽  
Composite Method ◽  
High Level

Spin-Forbidden Excitation Enables Infrared Photoredox Catalysis

2020 ◽  
Author(s):  
Tomislav Rovis ◽  
Benjamin D. Ravetz ◽  
Nicholas E. S. Tay ◽  
Candice Joe ◽  
Melda Sezen-Edmonds ◽  
...  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Intersystem Crossing ◽  
Photoredox Catalysis ◽  
Infrared Irradiation ◽  
Triplet Excitation ◽  
New Family ◽  
Ir Light

We describe a new family of catalysts that undergo direct ground state singlet to excited state triplet excitation with IR light, leading to photoredox catalysis without the energy waste associated with intersystem crossing. The finding allows a mole scale reaction in batch using infrared irradiation.

scholarly journals Negative ion photoelectron spectroscopy confirms the prediction that D3h carbon trioxide (CO3) has a singlet ground state

2016 ◽  
Vol 7 (2) ◽  
pp. 1142-1150 ◽  
Author(s):  
David A. Hrovat ◽  
Gao-Lei Hou ◽  
Bo Chen ◽  
Xue-Bin Wang ◽  
Weston Thatcher Borden
Keyword(s):  
Gas Phase ◽  
Ground State ◽  
Photoelectron Spectroscopy ◽  
Radical Anion ◽  
Negative Ion ◽  
Singlet Ground State

The CO3 radical anion (CO3˙−) has been formed by electrospraying carbonate dianion (CO32−) into the gas phase.

Spin-Singlet Ground State in Two-Dimensional S=1/2 Frustrated Square Lattice: (CuCl)LaNb2O7

2005 ◽  
Vol 74 (6) ◽  
pp. 1702-1705 ◽  
Author(s):  
H. Kageyama ◽  
T. Kitano ◽  
N. Oba ◽  
M. Nishi ◽  
S. Nagai ◽  
...  
Keyword(s):  
Ground State ◽  
Square Lattice ◽  
Singlet Ground State ◽  
Two Dimensional ◽  
Spin Singlet

scholarly journals A Class of Non-Kekulé Molecules with Low Excitation Energies

2007 ◽  
Vol 62 (11) ◽  
pp. 1433-1436
Author(s):  
Fritz Dietz ◽  
Nedko Drebov ◽  
Nikolai Tyutyulkov
Keyword(s):  
Molecular Orbital ◽  
Ground State ◽  
Excitation Energies ◽  
Triplet Ground State ◽  
Molecular Systems ◽  
Structural Principle

A class of non-Kekulé molecular systems with a new structural principle and low excitation energies or with a triplet ground state was investigated theoretically. The systems consist of a non-Kekulé monoradical, possessing a non-bonding molecular orbital linked in a specific way to another monoradical.

Theory of singlet-ground-state magnetism: Application to field-induced transitions inCsFeCl3andCsFeBr3

1993 ◽  
Vol 48 (18) ◽  
pp. 13636-13646 ◽  
Author(s):  
Per-Anker Lindgård ◽  
Burkhard Schmid
Keyword(s):  
Ground State ◽  
Singlet Ground State
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