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1. Polymorphism in 9-[(9 H -Fluoren-9-ylidene)methyl]phenanthrene

   https://doi.org/10.1021/acs.cgd.2c00120  

   Roth, Alexander D. ; Thamattoor, Dasan M. ( August 2022 , Crystal Growth & Design)
2. Collision-induced dissociation of homodimeric and heterodimeric radical cations of 9-methylguanine and 9-methyl-8-oxoguanine: correlation between intra-base pair proton transfer originating from the N1–H at a Watson–Crick edge and non-statistical dissociation

   https://doi.org/10.1039/d2cp00312k  

   Moe, May Myat ; Benny, Jonathan ; Liu, Jianbo ( April 2022 , Physical Chemistry Chemical Physics)

   It has been shown previously in protonated, deprotonated and ionized guanine–cytosine base pairs that intra-base pair proton transfer from the N1–H at the Watson–Crick edge of guanine to the complementary nucleobase prompts non-statistical dissociation of the base-pair system, and the dissociation of a proton-transferred base-pair structure is kinetically more favored than that of the starting, conventional base-pair structure. However, the fundamental chemistry underlying this anomalous and intriguing kinetics has not been completely revealed, which warrants the examination of more base-pair systems in different structural contexts in order to derive a generalized base-pair structure–kinetics correlation. The purpose of the present work is to expand the investigation to the non-canonical homodimeric and heterodimeric radical cations of 9-methylguanine (9MG) and 9-methyl-8-oxoguanine (9MOG), i.e. , [9MG·9MG]˙ + , [9MOG·9MG]˙ + and [9MOG·9MOG]˙ + . Experimentally, collision-induced dissociation tandem mass spectrometry coupled with an electrospray ionization (ESI) source was used for the formation of base-pair radical cations, followed by detection of dissociation product ions and cross sections in the collisions with Xe gas under single ion–molecule collision conditions and as a function of the center-of-mass collision energy. Computationally, density functional theory and coupled cluster theory were used to calculate and identify probable base-pair structures and intra-base pair proton transfer and hydrogen transfer reactions, followed by kinetics modeling to explore the properties of dissociation transition states and kinetic factors. The significance of this work is twofold: it provides insight into base-pair opening kinetics in three biologically-important, non-canonical systems upon oxidative and ionization damage; and it links non-statistical dissociation to intra-base pair proton-transfer originating from the N1–H at the Watson–Crick edge of 8-oxoguanine, enhancing understanding towards the base-pair fragmentation assisted by proton transfer. 

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3. Polyhedral Flexibility in the Sulfido-Capped Cluster H 2 Ru 3 (CO) 9 (μ 3 -S) on Reaction with 2-(Diphenylphosphino)thioanisole (PS) and Reversible Tripodal Rotation of the Chelated PS Ligand in H 2 Ru 3 (CO) 7 (κ 2 -PS)(μ 3 -S)

   https://doi.org/10.1021/acs.organomet.9b00202  

   Mayberry, Darrell D. ; Nesterov, Vladimir N. ; Richmond, Michael G. ( June 2019 , Organometallics)
4. Using Diffusion Monte Carlo Wave Functions to Analyze the Vibrational Spectra of H 7 O 3 + and H 9 O 4 +

   https://doi.org/10.1021/acs.jpca.1c05025  

   DiRisio, Ryan J. ; Finney, Jacob M. ; Dzugan, Laura C. ; Madison, Lindsey R. ; McCoy, Anne B. ( August 2021 , The Journal of Physical Chemistry A)

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5. C(1)‐Phenethyl Derivatives of [ closo ‐1‐CB 11 H 12 ] − and [ closo ‐1‐CB 9 H 10 ] − Anions: Difunctional Building Blocks for Molecular Materials

   https://doi.org/10.1002/chem.202002997  

   Jakubowski, Rafał ; Pietrzak, Anna ; Friedli, Andrienne C. ; Kaszyński, Piotr ( November 2020 , Chemistry – A European Journal)

   C(1)‐vinylation of [closo‐1‐CB₉H₁₀]⁻(A) and [closo‐1‐CB₁₁H₁₂]⁻(B) with 4‐benzyloxystyryl iodide followed by hydrogenation of the double bond and reductive deprotection of the phenol functionality led to C(1)‐(4‐hydroxyphenethyl) derivatives. The phenol functionality was protected as the acetate. The esters were then treated with PhI(OAc)₂and the resulting isomers were separated kinetically (for derivatives of anionA) or by chromatography (for derivatives of anionB) giving the difunctionalized building blocks in overall yields of 9 % and 50 %, respectively. A similar series of reactions was performed starting with anionsAandBand 4‐methoxystyryl bromide and iodide. Significant differences in the reactivity of derivatives of the two carborane anions were rationalized with DFT computational results. Application of the difunctionalized carboranes as building blocks was demonstrated through preparation of two ionic liquid crystals. The extensive synthetic work is accompanied by single crystal XRD analysis of six derivatives.

    

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