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1. A MOF‐based Ultra‐Strong Acetylene Nano‐trap for Highly Efficient C 2 H 2 /CO 2 Separation

   https://doi.org/10.1002/ange.202016225  

   Niu, Zheng ; Cui, Xili ; Pham, Tony ; Verma, Gaurav ; Lan, Pui Ching ; Shan, Chuan ; Xing, Huabin ; Forrest, Katherine A. ; Suepaul, Shanelle ; Space, Brian ; et al ( February 2021 , Angewandte Chemie)

   Porous materials with open metal sites have been investigated to separate various gas mixtures. However, open metal sites show the limitation in the separation of some challenging gas mixtures, such as C₂H₂/CO₂. Herein, we propose a new type of ultra‐strong C₂H₂nano‐trap based on multiple binding interactions to efficiently capture C₂H₂molecules and separate C₂H₂/CO₂mixture. The ultra‐strong acetylene nano‐trap shows a benchmarkQ_stof 79.1 kJ mol⁻¹for C₂H₂, a record high pure C₂H₂uptake of 2.54 mmol g⁻¹at 1×10⁻² bar, and the highest C₂H₂/CO₂selectivity (53.6), making it as a new benchmark material for the capture of C₂H₂and the separation of C₂H₂/CO₂. The locations of C₂H₂molecules within the MOF‐based nanotrap have been visualized by the in situ single‐crystal X‐ray diffraction studies, which also identify the multiple binding sites accountable for the strong interactions with C₂H₂.

    

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2. A MOF‐based Ultra‐Strong Acetylene Nano‐trap for Highly Efficient C 2 H 2 /CO 2 Separation

   https://doi.org/10.1002/anie.202016225  

   Niu, Zheng ; Cui, Xili ; Pham, Tony ; Verma, Gaurav ; Lan, Pui Ching ; Shan, Chuan ; Xing, Huabin ; Forrest, Katherine A. ; Suepaul, Shanelle ; Space, Brian ; et al ( February 2021 , Angewandte Chemie International Edition)

   Porous materials with open metal sites have been investigated to separate various gas mixtures. However, open metal sites show the limitation in the separation of some challenging gas mixtures, such as C₂H₂/CO₂. Herein, we propose a new type of ultra‐strong C₂H₂nano‐trap based on multiple binding interactions to efficiently capture C₂H₂molecules and separate C₂H₂/CO₂mixture. The ultra‐strong acetylene nano‐trap shows a benchmarkQ_stof 79.1 kJ mol⁻¹for C₂H₂, a record high pure C₂H₂uptake of 2.54 mmol g⁻¹at 1×10⁻² bar, and the highest C₂H₂/CO₂selectivity (53.6), making it as a new benchmark material for the capture of C₂H₂and the separation of C₂H₂/CO₂. The locations of C₂H₂molecules within the MOF‐based nanotrap have been visualized by the in situ single‐crystal X‐ray diffraction studies, which also identify the multiple binding sites accountable for the strong interactions with C₂H₂.

    

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3. Photochemically triggered cheletropic formation of cyclopropenone (c-C 3 H 2 O) from carbon monoxide and electronically excited acetylene

   https://doi.org/10.1039/D2CP01978G  

   Wang, Jia ; Kleimeier, N. Fabian ; Johnson, Rebecca N. ; Gozem, Samer ; Abplanalp, Matthew J. ; Turner, Andrew M. ; Marks, Joshua H. ; Kaiser, Ralf I. ( July 2022 , Physical Chemistry Chemical Physics)

   For more than half a century, pericyclic reactions have played an important role in advancing our fundamental understanding of cycloadditions, sigmatropic shifts, group transfer reactions, and electrocyclization reactions. However, the fundamental mechanisms of photochemically activated cheletropic reactions have remained contentious. Here we report on the simplest cheletropic reaction: the [2+1] addition of ground state 18 O-carbon monoxide (C 18 O, X 1 Σ + ) to D2-acetylene (C 2 D 2 ) photochemically excited to the first excited triplet (T1), second excited triplet (T2), and first excited singlet state (S1) at 5 K, leading to the formation of D2- 18 O-cyclopropenone (c-C 3 D 2 18 O). Supported by quantum-chemical calculations, our investigation provides persuasive testimony on stepwise cheletropic reaction pathways to cyclopropenone via excited state dynamics involving the T2 (non-adiabatic) and S1 state (adiabatic) of acetylene at 5 K, while the T1 state energetically favors an intermediate structure that directly dissociates after relaxing to the ground state. The agreement between experiments in low temperature ices and the excited state calculations signifies how photolysis experiments coupled with theoretical calculations can untangle polyatomic reactions with relevance to fundamental physical organic chemistry at the molecular level, thus affording a versatile strategy to unravel exotic non-equilibrium chemistries in cyclic, aromatic organics. Distinct from traditional radical–radical pathways leading to organic molecules on ice-coated interstellar nanoparticles (interstellar grains) in cold molecular clouds and star-forming regions, the photolytic formation of cyclopropenone as presented changes the perception of how we explain the formation of complex organics in the interstellar medium eventually leading to the molecular precursors of biorelevant molecules. 

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4. Reactions of translationally cold trapped CCl + with acetylene (C 2 H 2 )

   https://doi.org/10.1063/5.0008656  

   Catani, K. J. ; Greenberg, J. ; Saarel, B. V. ; Lewandowski, H. J. ( June 2020 , The Journal of Chemical Physics)
5. Anion Photoelectron Imaging Spectroscopy of C 6 HF 5 – , C 6 F 6 – , and the Absence of C 6 H 2 F 4 –

   https://doi.org/10.1021/acs.jpca.3c04016  

   McGee, Conor J. ; McGinnis, Kristen Rose ; Jarrold, Caroline Chick ( October 2023 , The Journal of Physical Chemistry A)