scholarly journals Discovery of conical intersection mediated photochemistry with growing string methods

2018 ◽  
Vol 20 (43) ◽  
pp. 27394-27405 ◽  
Author(s):  
Cody Aldaz ◽  
Joshua A. Kammeraad ◽  
Paul M. Zimmerman
Keyword(s):  
Photochemical Reactions ◽  
Conical Intersection ◽  
Product Selectivity ◽  
Reaction Discovery

A new reaction discovery technique for photochemical reactions is herein used to explore complex intersections and predict product selectivity.

Microreactor-Controlled Product Selectivity in Organic Photochemical Reactions

ChemInform ◽  
2003 ◽  
Vol 34 (1) ◽  
pp. no-no
Author(s):  
Chen-Ho Tung ◽  
Kai Song ◽  
Li-Zhu Wu ◽  
Hong-Ru Li ◽  
Li-Ping Zhang
Keyword(s):  
Photochemical Reactions ◽  
Product Selectivity

ChemInform Abstract: Remarkable Product Selectivity in Photochemical Reactions Within Supramolecular Systems

ChemInform ◽  
2010 ◽  
Vol 31 (18) ◽  
pp. no-no
Author(s):  
Chen-Ho Tung ◽  
Li-Zhu Wu ◽  
Zhen-Yu Yuan ◽  
Jing-Qu Guan ◽  
Yun-Ming Ying ◽  
...  
Keyword(s):  
Photochemical Reactions ◽  
Product Selectivity ◽  
Supramolecular Systems

scholarly journals A droplet microfluidic platform for high-throughput photochemical reaction discovery

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Alexandra C. Sun ◽  
Daniel J. Steyer ◽  
Anthony R. Allen ◽  
Emory M. Payne ◽  
Robert T. Kennedy ◽  
...  
Keyword(s):  
High Throughput ◽  
Continuous Flow ◽  
High Throughput Screening ◽  
Resource Constraints ◽  
Scale Up ◽  
Industrial Process ◽  
Photochemical Reactions ◽  
Microfluidic Platform ◽  
Reaction Discovery ◽  
Compound Libraries

AbstractThe implementation of continuous flow technology is critical towards enhancing the application of photochemical reactions for industrial process development. However, there are significant time and resource constraints associated with translating discovery scale vial-based batch reactions to continuous flow scale-up conditions. Herein we report the development of a droplet microfluidic platform, which enables high-throughput reaction discovery in flow to generate pharmaceutically relevant compound libraries. This platform allows for enhanced material efficiency, as reactions can be performed on picomole scale. Furthermore, high-throughput data collection via on-line ESI mass spectrometry facilitates the rapid analysis of individual, nanoliter-sized reaction droplets at acquisition rates of 0.3 samples/s. We envision this high-throughput screening platform to expand upon the robust capabilities and impact of photochemical reactions in drug discovery and development.

Photoisomerization transition state manipulation by entangled two-photon absorption

2021 ◽  
Vol 118 (47) ◽  
pp. e2116868118
Author(s):  
Bing Gu ◽  
Daniel Keefer ◽  
Flavia Aleotti ◽  
Artur Nenov ◽  
Marco Garavelli ◽  
...  
Keyword(s):  
Wave Packet ◽  
Transition State ◽  
Product Yield ◽  
Photochemical Reactions ◽  
Photon Absorption ◽  
Conical Intersection ◽  
Two Photon ◽  
Wave Packet Dynamics ◽  
Photon Excitation ◽  
Two Photon Excitation

We demonstrate how two-photon excitation with quantum light can influence elementary photochemical events. The azobenzene trans → cis isomerization following entangled two-photon excitation is simulated using quantum nuclear wave packet dynamics. Photon entanglement modulates the nuclear wave packets by coherently controlling the transition pathways. The photochemical transition state during passage of the reactive conical intersection in azobenzene photoisomerization is strongly affected with a noticeable alteration of the product yield. Quantum entanglement thus provides a novel control knob for photochemical reactions. The distribution of the vibronic coherences during the conical intersection passage strongly depends on the shape of the initial wave packet created upon quantum light excitation. X-ray signals that can experimentally monitor this coherence are simulated.

A systematic model study quantifying how conical intersection topography modulates photochemical reactions

2020 ◽  
Vol 22 (36) ◽  
pp. 20265-20283
Author(s):  
Camille A. Farfan ◽  
Daniel B. Turner
Keyword(s):  
Excited State ◽  
Photochemical Reaction ◽  
Essential Role ◽  
Reaction Rates ◽  
Photochemical Reactions ◽  
Conical Intersection ◽  
Model Study

Conical intersection topography plays an essential role in excited-state photochemistry. Here, topography is modified systematically to quantify its effects on photochemical reaction rates, reactant recovery, and photoproduct yield.

scholarly journals A Droplet Microfluidic Platform for High-Throughput Photochemical Reactions

2020 ◽  
Author(s):  
Alexandra Sun ◽  
Daniel Steyer ◽  
Anthony Allen ◽  
Emory Payne ◽  
Robert Kennedy ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Throughput ◽  
Photochemical Reaction ◽  
Photochemical Reactions ◽  
Microfluidic Platform ◽  
Reaction Discovery

<div>We report the development of a droplet microfluidic/mass spectrometry platform for performing high-throughput photochemical reaction discovery on picomole scale. We also describe the successful translation of picomole scale flow screening conditions to millimole scale flow operations, highlighting the utility of this platform for discovery chemistry applications. </div>

Remarkable product selectivity in photochemical reactions within supramolecular systems

1999 ◽  
Vol 10 (1-2) ◽  
pp. 75-81 ◽  
Author(s):  
Chen-Ho Tung ◽  
Li-Zhu Wu ◽  
Zhen-Yu Yuan ◽  
Jing-Qu Guan ◽  
Yun-Ming Ying ◽  
...  
Keyword(s):  
Photochemical Reactions ◽  
Product Selectivity ◽  
Supramolecular Systems

scholarly journals A Droplet Microfluidic Platform for High-Throughput Photochemical Reactions

2020 ◽  
Author(s):  
Alexandra Sun ◽  
Daniel Steyer ◽  
Anthony Allen ◽  
Emory Payne ◽  
Robert Kennedy ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Throughput ◽  
Photochemical Reaction ◽  
Photochemical Reactions ◽  
Microfluidic Platform ◽  
Reaction Discovery

<div>We report the development of a droplet microfluidic/mass spectrometry platform for performing high-throughput photochemical reaction discovery on picomole scale. We also describe the successful translation of picomole scale flow screening conditions to millimole scale flow operations, highlighting the utility of this platform for discovery chemistry applications. </div>

scholarly journals CASSCF and CASMP2 study on the photoisomerization mechanisms of [tris(trialkylsilyl)silyl]cyclotetrasilene and related cyclobutene molecules

RSC Advances ◽  
2017 ◽  
Vol 7 (16) ◽  
pp. 9975-9980
Author(s):  
Ming-Der Su
Keyword(s):  
Reaction Mechanisms ◽  
Photochemical Reactions ◽  
Conical Intersection ◽  
Isomerization Reaction

The photo-isomerization reaction mechanisms for both cyclotetrasilene and cyclobutene are theoretically studied. The model computations show that the conical intersection mechanism plays a key role in these photochemical reactions and that there are no radicals.

Sign in / Sign up

Export Citation Format

Share Document