Virtual Issue: Exploring the Periodic Table Through Physical Chemistry - ACS Axial | ACS Publications
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Virtual Issue: Exploring the Periodic Table Through Physical Chemistry

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 (He)

Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond
J. Phys. Chem. Lett., 2017, 8, 14, 3334-3340
DOI: 10.1021/acs.jpclett.7b01320

Lithium (Li)

Lithium Metal Anodes: Toward an Improved Understanding of Coupled Morphological, Electrochemical, and Mechanical Behavior
ACS Energy Lett., 2017, 2, 3, 664-672
DOI: 10.1021/acsenergylett.6b00650

Boron (B)

Mechanistic Investigation of Thermal and Photoreactions between Boron and Silane
J. Phys. Chem. A, 2017, 121, 35, 6531-6537
DOI: 10.1021/acs.jpca.7b03202

Carbon (C)

CH4/CO2 Mixture Adsorption on a Characterized Activated Carbon
J. Chem. Eng. Data, 2017, 62, 4, 1475-1480
DOI: 10.1021/acs.jced.6b01029

Nitrogen (N)

The Abiotic Nitrogen Cycle
ACS Earth Space Chem., 2017, 1, 7, 411-421
DOI: 10.1021/acsearthspacechem.7b00059

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
DOI: 10.1021/acs.jced.5b00257

Oxygen (O)

No Photon Wasted: An Efficient and Selective Singlet Oxygen Photosensitizing Protein
J. Phys. Chem. B, 2017, 121, 40, 9366-9371
DOI: 10.1021/acs.jpcb.7b07831

Neon (Ne)

NeON+: An Atom and a Molecule
ACS Earth Space Chem., 2018, 2, 5, 491-495
DOI: 10.1021/acsearthspacechem.8b00019

Sodium (Na)

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
DOI: 10.1021/acs.jpcb.7b12510

Magnesium (Mg)

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
DOI: 10.1021/acs.jcim.7b00655

Aluminum (Al)

Revisiting the Corrosion of the Aluminum Current Collector in Lithium-Ion Batteries
J. Phys. Chem. Lett., 2017, 8, 5, 1072-1077
DOI: 10.1021/acs.jpclett.6b02933

Silicon (Si)

Efficient Silicon Metasurfaces for Visible Light
ACS Photonics, 2017, 4, 3, 544-551
DOI: 10.1021/acsphotonics.6b00740

Sulfur (S)

Hydrogen Sulfide as a Scavenger of Sulfur Atomic Cation
J. Phys. Chem. A, 2018, 122, 22, 4983-4987
DOI: 10.1021/acs.jpca.8b02923

Argon (Ar)

Molecular Models for the Hydrogen Age: Hydrogen, Nitrogen, Oxygen, Argon, and Water
J. Chem. Eng. Data, 2018, 63, 2, 305-320
DOI: 10.1021/acs.jced.7b00706

Calcium (Ca)

Membrane Charging and Swelling upon Calcium Adsorption as Revealed by Phospholipid Nanodiscs
J. Phys. Chem. Lett., 2018, 9, 1, 54287-4293
DOI: 10.1021/acs.jpclett.8b01651

Cobalt (Co)

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
DOI: 10.1021/acs.jpcc.7b01907

Nickel (Ni)

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
DOI: 10.1021/acs.jpca.7b04525

Copper (Cu)

Electro- and Photoreduction of Carbon Dioxide: The Twain Shall Meet at Copper Oxide/Copper Interfaces
ACS Energy Lett., 2016, 1, 2, 332-338
DOI: 10.1021/acsenergylett.6b00078

Zinc (Zn)

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
DOI: 10.1021/acs.jpcb.7b03589

Germanium (Ge)

Degenerate Four-Wave Mixing in a Multiresonant Germanium Nanodisk
ACS Photonics, 2017, 4, 9, 2144-2149
DOI: 10.1021/acsphotonics.7b00631

Selenium (Se)

Three-Dimensional Hierarchical Graphene-CNT@Se: A Highly Efficient Freestanding Cathode for Li–Se Batteries
ACS Energy Lett., 2016, 1, 1, 16-20
DOI: 10.1021/acsenergylett.6b00015

Bromine (Br)

Modeling of Halogen–Protein Interactions in Co-Solvent Molecular Dynamics Simulations
J. Chem. Inf. Model., 2019, 59, 138-42
DOI: 10.1021/acs.jcim.8b00806

Zirconium (Zr)

Effects of Ligand Environment in Zr(IV) Assisted Peptide Hydrolysis
J. Chem. Inf. Model., 2017, 57, 5, 1079-1088
DOI: 10.1021/acs.jcim.6b00781

Rhodium (Rh)

Adsorption and Activation of Water on Cuboctahedral Rhodium and Platinum Nanoparticles
J. Phys. Chem. C, 2017, 121, 8, 4324-4331
DOI: 10.1021/acs.jpcc.6b11953

Silver (Ag)

Hot Carrier Generation and Extraction of Plasmonic Alloy Nanoparticles
ACS Photonics, 2017, 4, 5, 1146-1152
DOI: 10.1021/acsphotonics.6b01048

Lanthanum (La)

Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides
J. Chem. Theory Comput., 2016, 12, 3, 1148-1156
DOI: 10.1021/acs.jctc.5b01048

Rhenium (Re)

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
DOI: 10.1021/acs.jctc.6b00080

Osmium (Os)

Metal−Metal Quintuple and Sextuple Bonding in Bent Dimetallocenes of the Third Row Transition Metals
J. Chem. Theory Comput., 2010, 6, 3, 735-746
DOI: 10.1021/ct900564p

Iridium (Ir)

Monodisperse Iridium Clusters Protected by Phenylacetylene: Implication for Size-Dependent Evolution of Binding Sites
J. Phys. Chem. C, 2017, 121, 20, 10936-10941
DOI: 10.1021/acs.jpcc.6b12121

Mercury (Hg)

Photomicrobial Visible Light-Induced Magnetic Mass Independent Fractionation of Mercury in a Marine Microalga
ACS Earth Space Chem., 2018, 2, 5, 432-440
DOI: 10.1021/acsearthspacechem.7b00056

Lead (Pb)

Characterizing the Mechanisms of Lead Immobilization via Bioapatite and Various Clay Minerals
ACS Earth Space Chem., 2017, 1, 3, 152-157
DOI: 10.1021/acsearthspacechem.7b00016

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