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1. Oxidative Stability of Nb _n+1 C _n T _z MXenes

   https://doi.org/10.1021/acs.jpcc.1c01064  

   Echols, Ian J.; Holta, Dustin E.; Kotasthane, Vrushali S.; Tan, Zeyi; Radovic, Miladin; Lutkenhaus, Jodie L.; Green, Micah J. (July 2021, The Journal of Physical Chemistry C)
2. Vibrational Spectroscopy and Structural Analysis of V⁺(C₂H₆)_n Clusters (n = 1–4)

   https://doi.org/10.1021/acs.jpca.3c00301  

   Marcum, Jesse C; Metz, Ricardo B (June 2023, The Journal of Physical Chemistry A)

   The vibrational structure and binding motifs of vanadium cation-ethane clusters, V(+)(C2H6)n, for n = 1 – 4 are probed using infrared photodissociation spectroscopy in the C-H stretching region (2550 – 3100 cm-1). Comparison of spectra to scaled harmonic frequency spectra obtained using density functional theory suggest that ethane exhibits two primary binding motifs when interacting with the vanadium cation, an end-on 𝜂2 configuration and a side-on configuration. The lower-energy side-on configuration predominates in smaller clusters, but the end-on configuration becomes important for larger clusters as it helps to maintain a roughly square planar geometry about the central vanadium. Proximate C-H bonds exhibit elongation and large red-shifts when compared to bare ethane, particularly in the case of the side-on isomer, which are underestimated by scaled harmonic frequency calculations, demonstrating initial effects of C-H bond activation. 

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3. Probing the structures and bonding of auropolyynes, Au—(C≡C) _n —Au ⁻ ( n = 1–3), using high-resolution photoelectron imaging

   https://doi.org/10.1063/1.5040336  

   León, Iker; Ruipérez, Fernando; Ugalde, Jesus M.; Wang, Lai-Sheng (October 2018, The Journal of Chemical Physics)
4. Minimal effect of stacking number on intrinsic cleavage and shear behavior of Ti _{n +1} AlC _n and Ta _{n +1} AlC _n MAX phases

   https://doi.org/10.1063/1.5026323  

   Son, Woongrak; Duong, Thien; Talapatra, Anjana; Prehn, Evan; Tan, Zeyi; Radovic, Miladin; Arróyave, Raymundo (June 2018, Journal of Applied Physics)
5. Anions Formed by Perchlorofluorobenzenes C ₆ Cl _n F _6–n ( n = 0–6)

   https://doi.org/10.1021/acs.jpca.4c04359  

   Sommerfeld, Thomas (September 2024, The Journal of Physical Chemistry A)

   Anions formed by the perhalobenzene series C$$_6$$Cl$$_{n}$$F$$_{6-n}$$ ($n=0-6$) are studied computationally. All members of the series form both stable valence and stable non-valence anions. At the geometry of the neutral parents, only non-valence anions are bound, and the respective vertical electron affinities show values in the $20$ to $60$meV range. Valence anions show distorted non-planar structures, and one can distinguish two types of conformers. A-type conformers show puckered-ring structures and excess electrons delocalized over several C-Cl bonds [in case of C$$_6$$F$$_6^-$$, C-F bonds], while B-type conformers possess excess electrons essentially localized in a single C-Cl bond, which is accordingly strongly stretched and bent out-of-plane. For a specific anion, all conformers are close in energy (relative energies of less than $10$kJ/mol) and are connected by low-lying transition states. Accordingly, A-type and B-type conformers possess similar adiabatic electron affinities, however, their vertical detachment energies exhibit drastically different values, which should ease conformer distinction in photoelectron spectroscopy. 

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