Oscar Kelly
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oscarkelly.bsky.social
Oscar Kelly
@oscarkelly.bsky.social
PhD Student in Inorganic Chemistry @ Trinity College Dublin

ORCID: https://orcid.org/0000-0001-7990-419X
Reposted by Oscar Kelly
Reposted by Oscar Kelly
It seems this can't be emphasized enough. Chatbots and LLMs do not make mistakes (excepting any bugs in the code). They do not lie. They do not blackmail or cheat. They follow statistics. When the people who build these systems don't tell you this, they are either deluded or trying to mislead.
When a chatbot gets something wrong, it’s not because it made an error. It’s because on that roll of the dice, it happened to string together a group of words that, when read by a human, represents something false. But it was working entirely as designed. It was supposed to make a sentence & it did.
November 6, 2025 at 11:34 AM
Delighted to finally share this work in @jacs.acspublications.org . Big thanks to @fenicu.bsky.social , @marcelswart.bsky.social and Brendan Twamley. Check it out! 👇🏻🧪 #chemsky
August 6, 2025 at 5:59 PM
Reposted by Oscar Kelly
Check out our latest contribution in @jacs.acspublications.org, moved forward by Oscar Kelly

doi.org/10.1021/jacs...

With Brendan Twamley and @fenicu.bsky.social

Cc @iqccudg.bsky.social
Electrostatic Fields Induce Accelerated Proton Coupled Electron Transfer Rates in Chlorophyll Model Compounds
Chlorophyll-based pigments are crucial mediators of redox processes in photosynthesis, serving as the primary electron donors in photosystems I and II. Despite their structural similarities, these pigments exhibit a wide range of redox potentials (0.5–1.3 V vs SHE), and little experimental insight into the origins of this variation is available. To address this deficit, we have synthesized two crown ether-appended Mg-porphyrin complexes as chlorophyll model compounds and demonstrated their ability to bind redox-inactive metal cations. Cation binding to the Mg-porphyrin complexes was found to increase their redox potentials in a manner that depends linearly on the total cationic charge felt by the complex, implicating a through-space electrostatic field effect. The corresponding 1-electron oxidized π-cation radical complexes were then prepared and characterized by UV–vis, FT-IR, and EPR spectroscopies and ESI-MS. The π-cation radical species were found to be competent for the PCET oxidation of a phenolic substrate, mimicking the reaction between photo-oxidized chlorophyll and tyrosine in photosystem II. Cation binding to the π-cation radical complexes was found to increase the rates of their PCET and ET reactions in a charge-dependent manner which could be rationalized using Marcus theory. This work provides direct experimental evidence that electrostatic fields can tune the redox potentials of chlorophyll model compounds, leading to an increase in their oxidative reactivity.
doi.org
August 1, 2025 at 3:47 PM
Reposted by Oscar Kelly
Okay so imagine this, you have no opinions, you have no skills, you have no wants or desires, you are a smooth orb of nothing and our subscription service helps make sure you still cast a shadow that resembles a human being. Sounds sick right?
April 22, 2025 at 9:46 PM
Reposted by Oscar Kelly
We are excited to share praseodymium 5+! Finally in print!
A new PR for Pr!

rdcu.be/egHf6
Praseodymium in the formal +5 oxidation state
Nature Chemistry - The most common oxidation state for lanthanide elements is +3, and, beyond cerium, examples of these elements exhibiting higher oxidation states remain scarce. Now, a molecular...
rdcu.be
April 7, 2025 at 6:50 PM
Reposted by Oscar Kelly
@agnideep.bsky.social's mega-project on our efforts to develop catalytic fluorination of hydrocarbons is now published. Congrats Agni on an excellent effort!! #chemsky
onlinelibrary.wiley.com/doi/10.1002/...
High‐Valent Cobalt‐Difluoride in Oxidative Fluorination of Saturated Hydrocarbons
Polyamine-supported CoII complexes catalyzed the oxidative fluorination of saturated hydrocarbons, in some instances selectively, when combined with Selectfluor and CsF, producing fluorinated product...
onlinelibrary.wiley.com
January 13, 2025 at 1:42 PM
Reposted by Oscar Kelly
An excellent CSCB symposium in UCD last week, with @oscarkelly.bsky.social presenting his discoveries in modulating charge at a porphyrin. #chemsky #loveirishresearch
December 17, 2024 at 4:46 PM
Reposted by Oscar Kelly
Our first post: Sachi's fantastic model of P680 - PCET gets easier with more porphyrins! #chemsky onlinelibrary.wiley.com/doi/10.1002/...
A Structural and Functional Mimic of P680+
A dimeric MgII-porphyrin complex has been developed as a structural and functional mimic of the dimeric-chlorophyll reaction center found in photosystem II. The corresponding π-cation radical complex...
onlinelibrary.wiley.com
November 20, 2024 at 5:34 PM