Phenalenyl radical: Smallest polycyclic odd alternant hydrocarbon present in the graphene sheet

J Ahmed, SK Mandal - Chemical Reviews, 2022 - ACS Publications
Phenalenyl, a zigzag-edged odd alternant hydrocarbon unit can be found in the graphene
nanosheet. Hückel molecular orbital calculations indicate the presence of a nonbonding …

London dispersion in molecular chemistry—reconsidering steric effects

JP Wagner, PR Schreiner - Angewandte Chemie International …, 2015 - Wiley Online Library
London dispersion, which constitutes the attractive part of the famous van der Waals
potential, has long been underappreciated in molecular chemistry as an important element …

Pancake bonding: an unusual pi‐stacking interaction

M Kertesz - Chemistry–A European Journal, 2019 - Wiley Online Library
A category of parallel π‐stacking interaction, termed pancake bonding, is surveyed. The
main characteristics are: the interaction occurs among radicals with highly delocalized π …

Synthetic organic spin chemistry for structurally well-defined open-shell graphene fragments

Y Morita, S Suzuki, K Sato, T Takui - Nature chemistry, 2011 - nature.com
Graphene, a two-dimensional layer of sp 2-hybridized carbon atoms, can be viewed as a
sheet of benzene rings fused together. Three benzene rings can be combined in three …

Redox Mediators in Homogeneous Co-electrocatalysis

AG Reid, CW Machan - Journal of the American Chemical Society, 2023 - ACS Publications
Homogeneous electrocatalysis has been well studied over the past several decades for the
conversion of small molecules to useful products for green energy applications or as …

XEDA, a fast and multipurpose energy decomposition analysis program

Z Tang, Y Song, S Zhang, W Wang, Y Xu… - Journal of …, 2021 - Wiley Online Library
A fast and multipurpose energy decomposition analysis (EDA) program, called XEDA, is
introduced for quantitative analysis of intermolecular interactions. This program contains a …

Phenalenyl‐Based Open‐Shell Polycyclic Aromatic Hydrocarbons

T Kubo - The Chemical Record, 2015 - Wiley Online Library
The phenalenyl radical is a polycyclic aromatic hydrocarbon (PAH) radical. Owing to its
widely distributed spin structure, phenalenyl is relatively stable compared to other …

Evidence of σ-and π-Dimerization in a Series of Phenalenyls

Z Mou, K Uchida, T Kubo, M Kertesz - Journal of the American …, 2014 - ACS Publications
Phenalenyl and a wide variety of its derivatives form stable radicals, which often associate in
various aggregates with interesting properties that include magnetism and high electrical …

London'sche Dispersionswechselwirkungen in der Molekülchemie–eine Neubetrachtung sterischer Effekte

JP Wagner, PR Schreiner - Angewandte Chemie, 2015 - Wiley Online Library
Abstract Die London'sche Dispersion, die den attraktiven Teil des Van‐der‐Waals‐
Potentials beschreibt, wurde lange als Element struktureller Stabilität in der molekularen …

Pancake bonds: π-Stacked dimers of organic and light-atom radicals

KE Preuss - Polyhedron, 2014 - Elsevier
The nature of the chemical bond is fundamental to the modern concept of chemistry. Species
that exhibit unusual interactions provide a valuable challenge to current theoretical models …