Conical intersections and intersystem crossings explain product formation in photochemical reactions of aryl azides

2019 ◽  
Vol 21 (5) ◽  
pp. 2389-2396 ◽  
Author(s):  
Juan Soto ◽  
Juan C. Otero ◽  
Francisco J. Avila ◽  
Daniel Peláez
Keyword(s):  
Internal Conversion ◽  
Product Formation ◽  
Photochemical Reactions ◽  
Intersystem Crossing ◽  
Conical Intersections ◽  
Aryl Azides ◽  
Surface Crossings

Photochemistry of substituted aryl azides is governed by surface crossings. Internal conversion and intersystem crossing govern photodecomposition of 3-methoxyphenyl azide and 4-methoxyphenyl azide.

Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing

2017 ◽  
Vol 19 (37) ◽  
pp. 25662-25670 ◽  
Author(s):  
Thomas Schnappinger ◽  
Patrick Kölle ◽  
Marco Marazzi ◽  
Antonio Monari ◽  
Leticia González ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Internal Conversion ◽  
Ab Initio Molecular Dynamics ◽  
Intersystem Crossing ◽  
Conical Intersections ◽  
Open Ring ◽  
Ring Structures ◽  
Long Life

Ab initio on-the-fly molecular dynamics reveals that excited thiophene decays via low lying conical intersections and via intersystem crossing. Open-ring structures are responsible for the observed long life times.

Luminescence Quenching of Rhodamines by Cyclooctatetraene

1987 ◽  
Vol 42 (9) ◽  
pp. 1009-1013 ◽  
Author(s):  
P. Targowski ◽  
B. Ziętek ◽  
A. Bączyński
Keyword(s):  
Rhodamine B ◽  
Rate Constants ◽  
Internal Conversion ◽  
Rhodamine 6G ◽  
Second Order ◽  
Luminescence Quenching ◽  
Intersystem Crossing ◽  
Order Rate ◽  
Quenching Process

Cyclooctatetraene (COT) as a quencher of fluorescence of a series of Rhodamine solutions was studied. The second order rate constants for the quenching process of Rhodamine 110, Rhodamine 19 pchl., Rhodamine 6G pchl., Rhodamine 6G, Tetramethylrhodamine, Rhodamine B and Rhodamine 3B pchl. are given. It was found that COT enhances rather intersystem crossing than internal conversion.

Locating conical intersections relevant to photochemical reactions

2008 ◽  
Vol 347 (1-3) ◽  
pp. 65-77 ◽  
Author(s):  
Bernhard Dick ◽  
Yehuda Haas ◽  
Shmuel Zilberg
Keyword(s):  
Photochemical Reactions ◽  
Conical Intersections
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