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The 71Pig Rydberg state of Na2 correlating with the separated atom limit Na(3s) + Na(5p) has been observed using high-resolution cw optical-optical double resonance spectroscopy. A total of 104 identified rovibrational levels in the range v = 0-12 and 11 = J = 44 have been assigned to the 71Pig state. Dunham coefficients were determined, and the Rydberg-Klein-Rees potential curve in the range of R = 2.99-4.66 A was derived for the 71Pig state using the observed quantum levels. The important molecular properties are the potential minimum Te = 36 633.00(23) cm-1 at Re = 3.6313(29) A, omegae = 115.75(13) cm-1, and Be = 0.111 22(17) cm-1. A detailed discussion of this investigation of the 71Pig state is provided.
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http://dx.doi.org/10.1021/jp073002f | DOI Listing |
Langmuir
September 2025
Neutron Scattering Division, Oak Ridge National Laboratory, MS 6473, Oak Ridge, Tennessee 37831 United States.
Mordenite ((Ca,Na,K)AlSiO·7HO) is a natural and synthetic nanoporous zeolite containing several channels of different sizes in its structure. Because of this, its structure provides an important opportunity to study the relationship between confined and ultraconfined water as these channels have sizes between those typical of these water environments. In this study, the properties of water molecules in these environments were analyzed using inelastic and quasielastic neutron spectroscopy of a natural mordenite.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
Physics Department, Virginia Commonwealth University, Richmond, Virginia 23284, United States.
The recent observation of a high-spin Na dimer formed on the surface of liquid helium nanodroplets raises some fundamental questions, as the ground state of Na is known to have zero spin. Is it protected against spontaneous dissociation? What is its binding energy and interatomic distance? Is it stable at a higher temperature? Using calculations based on density functional theory (with and without long-range interaction) and coupled cluster methods, CCSD(T), we show that the bonding in the high-spin Na dimer is governed by van der Waals interaction with binding energy (bond length) varying between -0.030 eV (5.
View Article and Find Full Text PDFInorg Chem
August 2025
Department of Chemistry & Chemical Biology, McMaster University, 1280 Main St W, Hamilton, Ontario L8S 4L8, Canada.
NaSnGeO is a novel Na conductor that can be utilized in the next generation of all-solid-state Na batteries (ASSNIBs). Na ssNMR experiments were carried out on the NaSnGeO phase to investigate the Na dynamics for the three unique crystallographic Na sites under multiple field strengths (20, 11.7, and 7 T).
View Article and Find Full Text PDFInorg Chem
August 2025
Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, United States.
We report a general synthetic method to access iron-carbide(carbonyl) clusters ligated by thiolate. We previously established that multiple neutral ligand substitution (phosphine) was enabled by utilizing the conventional six-iron carbide cluster [Fe(μ-C)(μ-CO)(CO)] and generating the 2 e oxidized, polyhedral skeletal electron pair theory (PSEPT) non-compliant cluster [Fe(μ-C)(μ-CO)(CO)]. However, ligation of thiolate proved intractable this route due to inherent thiolate-cluster redox processes, resulting simply in reformation of the dianionic cluster.
View Article and Find Full Text PDFACS Nano
August 2025
State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China.
Iron-based polyanion material NaFe(SO) has gained attention for sodium-ion batteries due to its excellent electrochemical performance and low cost. However, NaFe(SO) suffers from residual FeSO formation during synthesis, which limits its capacity and rate performance. Herein, we introduce a dual-phase engineering strategy by incorporating NaF during synthesis that effectively eliminates FeSO residues and enables the formation of a dual-phase composite: NaFe(SO) (primary phase) and NaFe(SO)F (secondary phase).
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