Over the course of 2019, ACS has been excited to put forward a number of activities to mark the International Year of the Periodic Table (IYPT). The United Nationals Educational, Scientific and Cultural Organization (UNESCO) chose 2019 for this chemistry celebration since it’s the 150th anniversary of the publication of Dmitry Mendeleev’s Periodic Table of the Elements; a truly notable advancement pivotal to how chemistry is taught and understood today. ACS Publications is pleased to continue with a series of Virtual Issues highlighting elements that have been important to researchers in each of five subdisciplines of chemistry: Analytical & Applied Chemistry, Multidisciplinary & Organic/Inorganic Chemistry, Biological Chemistry, Materials Science & Engineering, and the present Virtual Issue, which is focused on Physical Chemistry.
In the second of five Virtual Issues in the series, we explore articles from the diverse field of Physical Chemistry as a collaboration between ACS Earth and Space Chemistry, ACS Energy Letters, ACS Photonics, Journal of Chemical & Engineering Data, Journal of Chemical Information and Modeling, Journal of Chemical Theory and Computation, The Journal of Physical Chemistry A/B/C and The Journal of Physical Chemistry Letters.
George Schatz, Editor-in-Chief of The Journal of Physical Chemistry A/B/C/Letters, expands on the significance of this collection of articles in his Editorial. He writes:
Physical chemistry is a very broad subdiscipline of chemistry, and the papers on our list are nicely representative of this breadth. Thus we have four papers concerned with studies of biophysics, one related to photosensitizing proteins using singlet oxygen(O), one presenting a theory study of an enzymatic reaction mechanism (Zn), one on metal catalyzed peptide hydrolysis (Zr) and one on isotopic fractionation.
Chemical bonding is another important topic in physical chemistry, and here we also provide four papers: two related to bonding effects associated with rare gas atoms (He, Ne), one concerning the use of theory to describe the binding of ions to lipid structures(Na), and one involving theory studies of multiple bond formation when a heavy transition metal binds to cyclopentadienyl ions (Os).
The properties of materials are prominently displayed in twelve of the articles we have listed, including studies of adsorption (C, Ca), batteries (Se, Al), catalysts (Co, Ni, Rh), metal clusters (Ir), electrochemistry (Li, Cu), and of thermal materials (Mg). Also, one of the papers is concerned with the formation of lead-based materials in the environment (Pb).
Optical studies have always featured prominently in physical chemistry studies, so it comes as no surprise that there are 4 papers in this area. These include a study of four-wave mixing in nanostructure (Ge), and of hot carriers from plasmon excitation (Ag). Also included is an ultrafast study of intersystem crossing (Re), and a study of metasurfaces for visible light (Si).
Chemistry is often concerned with understanding chemical reactions, so two of the papers have that as their primary activity, with one concerned with boron and silane, (B) while another involves nitrogen-based reactions(N1).
Finally, four of the papers are primarily concerned with theory and computation (not counting some of the theory papers listed earlier which we considered important for other reasons). These include a study of energetic materials related to triazoles (N2), the development of molecule models (Ar), the use of molecular dynamics to describe of molecules in solution (Br), and the development of basis sets for relativistic electronic structure calculations on rare-earths (La).
Enjoy these 31 articles exploring physical chemistry across the Periodic Table. Check ACS Axial throughout the remainder of the year for more Virtual Issues and Interview with ACS Editors exploring the Periodic Table.
Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond
J. Phys. Chem. Lett., 2017, 8, 14, 3334-3340
Lithium Metal Anodes: Toward an Improved Understanding of Coupled Morphological, Electrochemical, and Mechanical Behavior
ACS Energy Lett., 2017, 2, 3, 664-672
Mechanistic Investigation of Thermal and Photoreactions between Boron and Silane
J. Phys. Chem. A, 2017, 121, 35, 6531-6537
CH4/CO2 Mixture Adsorption on a Characterized Activated Carbon
J. Chem. Eng. Data, 2017, 62, 4, 1475-1480
The Abiotic Nitrogen Cycle
ACS Earth Space Chem., 2017, 1, 7, 411-421
Theoretical Studies on the Energetic Salts of Substituted 3,3′-Amino-N,N′-azo-1,2,4-triazoles: The Role of Functional Groups
J. Chem. Eng. Data, 2015, 60, 10, 2869-2878
No Photon Wasted: An Efficient and Selective Singlet Oxygen Photosensitizing Protein
J. Phys. Chem. B, 2017, 121, 40, 9366-9371
NeON+: An Atom and a Molecule
ACS Earth Space Chem., 2018, 2, 5, 491-495
Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization
J. Phys. Chem. B, 2018, 122, 16, 4546-4557
Thermostability of the PYL–PP2C Heterodimer Is Dependent on Magnesium: In Silico Insights into the Link between Heat Stress Response and Magnesium Deficiency in Plants
J. Chem. Inf. Model., 2018, 58, 3, 661-672
Revisiting the Corrosion of the Aluminum Current Collector in Lithium-Ion Batteries
J. Phys. Chem. Lett., 2017, 8, 5, 1072-1077
Efficient Silicon Metasurfaces for Visible Light
ACS Photonics, 2017, 4, 3, 544-551
Hydrogen Sulfide as a Scavenger of Sulfur Atomic Cation
J. Phys. Chem. A, 2018, 122, 22, 4983-4987
Molecular Models for the Hydrogen Age: Hydrogen, Nitrogen, Oxygen, Argon, and Water
J. Chem. Eng. Data, 2018, 63, 2, 305-320
Membrane Charging and Swelling upon Calcium Adsorption as Revealed by Phospholipid Nanodiscs
J. Phys. Chem. Lett., 2018, 9, 1, 54287-4293
Role of Transient Co-Subcarbonyls in Ostwald Ripening Sintering of Cobalt Supported on γ-Alumina Surfaces
J. Phys. Chem. C, 2017, 121, 31, 16739-16753
Experimental Study and Mathematical Modeling of Self-Sustained Kinetic Oscillations in Catalytic Oxidation of Methane over Nickel
J. Phys. Chem. A, 2017, 121, 37, 6874-6886
Electro- and Photoreduction of Carbon Dioxide: The Twain Shall Meet at Copper Oxide/Copper Interfaces
ACS Energy Lett., 2016, 1, 2, 332-338
QM/MM Calculation of the Enzyme Catalytic Cycle Mechanism for Copper- and Zinc-Containing Superoxide Dismutase
J. Phys. Chem. B, 2017, 121, 30, 7235-7246
Degenerate Four-Wave Mixing in a Multiresonant Germanium Nanodisk
ACS Photonics, 2017, 4, 9, 2144-2149
Three-Dimensional Hierarchical Graphene-CNT@Se: A Highly Efficient Freestanding Cathode for Li–Se Batteries
ACS Energy Lett., 2016, 1, 1, 16-20
Modeling of Halogen–Protein Interactions in Co-Solvent Molecular Dynamics Simulations
J. Chem. Inf. Model., 2019, 59, 138-42
Effects of Ligand Environment in Zr(IV) Assisted Peptide Hydrolysis
J. Chem. Inf. Model., 2017, 57, 5, 1079-1088
Adsorption and Activation of Water on Cuboctahedral Rhodium and Platinum Nanoparticles
J. Phys. Chem. C, 2017, 121, 8, 4324-4331
Hot Carrier Generation and Extraction of Plasmonic Alloy Nanoparticles
ACS Photonics, 2017, 4, 5, 1146-1152
Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides
J. Chem. Theory Comput., 2016, 12, 3, 1148-1156
Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin–Vibronic Quantum Dynamics
J. Chem. Theory Comput., 2016, 12, 5, 2335-2345
Metal−Metal Quintuple and Sextuple Bonding in Bent Dimetallocenes of the Third Row Transition Metals
J. Chem. Theory Comput., 2010, 6, 3, 735-746
Monodisperse Iridium Clusters Protected by Phenylacetylene: Implication for Size-Dependent Evolution of Binding Sites
J. Phys. Chem. C, 2017, 121, 20, 10936-10941
Photomicrobial Visible Light-Induced Magnetic Mass Independent Fractionation of Mercury in a Marine Microalga
ACS Earth Space Chem., 2018, 2, 5, 432-440
Characterizing the Mechanisms of Lead Immobilization via Bioapatite and Various Clay Minerals
ACS Earth Space Chem., 2017, 1, 3, 152-157