Outputs (1554)

Time-resolved vacuum-ultraviolet photoelectron spectroscopy of the à ¹Aᵤ state of acetylene (2025)
Journal Article
Razmus, W. O., Prlj, A., Seifert, N. A., Bonanomi, M., Callegari, C., Danailov, M., Decleva, P., Demidovich, A., De Ninno, G., Devetta, M., Faccialà, D., Feifel, R., Giannessi, L., Piteša, T., Powis, I., Raimondi, L., Reid, K. L., Ribič, P. R., Spezzani, C., Squibb, R. J., …Pratt, S. T. (2025). Time-resolved vacuum-ultraviolet photoelectron spectroscopy of the à ¹Aᵤ state of acetylene. Journal of Chemical Physics, 162(5), Article 054310. https://doi.org/10.1063/5.0241392

Ultrafast time-resolved photoelectron spectra are reported for the vacuum-ultraviolet (VUV) photoionization of acetylene following excitation to the à ¹Aᵤ state via UV absorption at 200 nm. The excitation energy lies above the lowest dissociation thr... Read More about Time-resolved vacuum-ultraviolet photoelectron spectroscopy of the à ¹Aᵤ state of acetylene.

Quantitative analysis of aligned-molecule photoelectron angular distributions (2025)
Journal Article
Woodhouse, J. L., Thompson, J. O. F., Benda, J., Chapman, R. T., Hockett, P., Makhija, V., Mašín, Z., Reid, K. L., Springate, E., Wyatt, A. S., Zhang, Y., & Minns, R. S. (2025). Quantitative analysis of aligned-molecule photoelectron angular distributions. Physical Review A, 111(1), Article 012815. https://doi.org/10.1103/physreva.111.012815

Molecular frame photoelectron angular distributions (MFPADs) provide the full available detail of the photoionization process. Careful analysis of the evolving photoelectron angular distribution during the coherent rotation of a nonadiabatically alig... Read More about Quantitative analysis of aligned-molecule photoelectron angular distributions.

HCat-GNet: a Human-Interpretable GNN Tool for Ligand Optimization in Asymmetric Catalysis (2025)
Journal Article
Aguilar-Bejarano, E., Özcan, E., Rit, R. K., Li, H., Lam, H. W., Moore, J. C., Woodward, S., & Figueredo, G. (2025). HCat-GNet: a Human-Interpretable GNN Tool for Ligand Optimization in Asymmetric Catalysis. iScience, Article 111881. https://doi.org/10.1016/j.isci.2025.111881

Optimization of metal-ligand asymmetric catalysts is usually done by empirical trials, where the ligand is arbitrary modified, and the new catalyst is re-evaluated in the lab. This procedure is not efficient and alternative strategies are highly desi... Read More about HCat-GNet: a Human-Interpretable GNN Tool for Ligand Optimization in Asymmetric Catalysis.

Collaborating for Impact: Navigating Partnerships and Overcoming Challenges across the Sustainable Development Goals (2025)
Journal Article
Azim, H., Johnston, A.-L., Nixon, M., Woodliffe, J. L., Theunissen, R., Suresh, R., Sivapalan, S., Bobo, J., & Licence, P. (2025). Collaborating for Impact: Navigating Partnerships and Overcoming Challenges across the Sustainable Development Goals. ACS Sustainable Chemistry and Engineering, 13(3), 1164-1173. https://doi.org/10.1021/acssuschemeng.4c10171

We illustrate the importance of early career perspectives and diverse partnerships to develop solutions and overcome key challenges to achieve the Sustainable Development Goals.

Gold(I)‐Catalyzed Nucleophilic Propargylation of Azinium Ions via Hydroxydihydroazine Intermediates (2025)
Journal Article
Smithson, J., O'Brien, L., Jones, K. D., Argent, S. P., Wheelhouse, K. M., Woodward, S., Ermanis, K., & Lam, H. W. (2025). Gold(I)‐Catalyzed Nucleophilic Propargylation of Azinium Ions via Hydroxydihydroazine Intermediates. Chemistry - A European Journal, https://doi.org/10.1002/chem.202404153

The nucleophilic propargylation of azinium ions with a propargylboronate proceeds efficiently under gold(I) catalysis. A range of N-alkylated pyridinium, quinolinium, and pyrazinium ions undergo propargylation with good yields and high regioselectivi... Read More about Gold(I)‐Catalyzed Nucleophilic Propargylation of Azinium Ions via Hydroxydihydroazine Intermediates.

Data Checking of Asymmetric Catalysis Literature Using a Graph Neural Network Approach (2025)
Journal Article
Aguilar-Bejarano, E., Deorukhkar, V., & Woodward, S. (2025). Data Checking of Asymmetric Catalysis Literature Using a Graph Neural Network Approach. Molecules, 30(2), Article 355. https://doi.org/10.3390/molecules30020355

The range of chemical databases available has dramatically increased in recent years, but the reliability and quality of their data are often negatively affected by human-error fidelity. The size of chemical databases can make manual data curation/ch... Read More about Data Checking of Asymmetric Catalysis Literature Using a Graph Neural Network Approach.

Iterative One-Carbon Homologation of Unmodified Carboxylic Acids (2024)
Journal Article
Wheatley, E., Melnychenko, H., & Silvi, M. (2024). Iterative One-Carbon Homologation of Unmodified Carboxylic Acids. Journal of the American Chemical Society, 146(50), 34285-34291. https://doi.org/10.1021/jacs.4c13630

The one-carbon homologation of carboxylic acids is a valuable route to construct families of homologues, which play fundamental roles in chemistry and biology. However, known procedures are based on multistep sequences, use harsh conditions or are li... Read More about Iterative One-Carbon Homologation of Unmodified Carboxylic Acids.

Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures (2024)
Journal Article
Preobrajenski, A., Vinogradov, N., Duncan, D. A., Lee, T.-L., Tsitsvero, M., Taketsugu, T., & Lyalin, A. (2024). Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures. Nature Communications, 15(1), Article 10518. https://doi.org/10.1038/s41467-024-54464-y

The synthesis of large, freestanding, single-atom-thick two-dimensional (2D) metallic materials remains challenging due to the isotropic nature of metallic bonding. Here, we present a bottom-up approach for fabricating macroscopically large, nearly f... Read More about Boron-induced transformation of ultrathin Au films into two-dimensional metallic nanostructures.

Manipulating adsorbed hydrogen on lanthanum-modified CuOₓ: Industrial-current-density CO₂ electroreduction to C₂₊ products or CH₄ (2024)
Journal Article
Guo, Z., Zhu, H., Yan, Z., Lei, L., Wang, D., Xi, Z., Lian, Y., Yu, J., Fow, K. L., Do, H., Hirst, J. D., Wu, T., & Xu, M. (2025). Manipulating adsorbed hydrogen on lanthanum-modified CuOₓ: Industrial-current-density CO₂ electroreduction to C₂₊ products or CH₄. Applied Catalysis B: Environmental, 364, Article 124839. https://doi.org/10.1016/j.apcatb.2024.124839

The selective electrochemical CO2 reduction reaction (CO2RR) yields valuable C2+ and C1 products, yet the influence of adsorbed hydrogen (*H) on product distribution remains inadequately understood. This study explores this effect by developing bimet... Read More about Manipulating adsorbed hydrogen on lanthanum-modified CuOₓ: Industrial-current-density CO₂ electroreduction to C₂₊ products or CH₄.

Structure and thermal stability of phosphorus-iodonium ylids (2024)
Journal Article
Greener, A., Argent, S. P., Clarke, C. J., & O’Duill, M. L. (2024). Structure and thermal stability of phosphorus-iodonium ylids. Beilstein Journal of Organic Chemistry, 20, 2931-2939. https://doi.org/10.3762/bjoc.20.245

Hypervalent iodine(III) reagents have become indispensable tools in organic synthesis, but gaps remain in the functionalities they
can transfer. In this study, a fundamental understanding of the thermal stability of phosphorus-iodonium ylids is obta... Read More about Structure and thermal stability of phosphorus-iodonium ylids.