Direct radical functionalization methods to access substituted adamantanes and diamondoids

WK Weigel, HT Dang, A Feceu… - Organic & biomolecular …, 2022 - pubs.rsc.org
Adamantane derivatives have diverse applications in the fields of medicinal chemistry,
catalyst development and nanomaterials, owing to their unique structural, biological and …

Prospects for useful fission from singlet states higher than S 1 in aggregated organic chromophores

RP Steer - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
The few known reports and the likely prospects of finding new efficient routes to exciton
fission from higher excited singlet states, Sn (n> 1), are reviewed. Aggregates of molecules …

Tuning the HOMO–LUMO energy gap of small diamondoids using inverse molecular design

JL Teunissen, F De Proft… - Journal of chemical …, 2017 - ACS Publications
Functionalized diamondoids show great potential as building blocks for various new
optoelectronic applications. However, until now, only simple mono and double substitutions …

Derivatization of diamondoids for functional applications

Y Zhou, AD Brittain, D Kong, M **ao, Y Meng… - Journal of Materials …, 2015 - pubs.rsc.org
Diamondoids, a group of hydrocarbon cage molecules that resemble diamond lattice, are
attracting increasing interest in the past decade. Their diamond-like structure warrants that …

Nanotechnology of diamondoids for the fabrication of nanostructured systems

KW Yeung, Y Dong, L Chen, CY Tang… - Nanotechnology …, 2020 - degruyter.com
Diamondoids are cage-like hydrocarbon materials with unique characteristics such as low
dielectric constants, negative electron affinity, large steric bulk, and electron-donating ability …

Electronic structure tuning of diamondoids through functionalization

T Rander, M Staiger, R Richter… - The Journal of …, 2013 - pubs.aip.org
We investigated the changes in electronic structures induced by chemical functionalization
of the five smallest diamondoids using valence photoelectron spectroscopy. Through the …

Determination of the phonon sidebands in the photoluminescence spectrum of semiconductor nanoclusters from ab initio calculations

P Han, G Bester - Physical Review B, 2022 - APS
We propose a theoretical approach based on (constrained) density functional theory and the
Franck-Condon approximation for the calculation of the temperature dependent …

Preparation and characterization of non-aromatic ether self-assemblies on a HOPG surface

J Alić, I Biljan, Z Štefanić, M Šekutor - Nanotechnology, 2022 - iopscience.iop.org
On-surface self-assemblies of aromatic organic molecules have been widely investigated,
but the characterization of analogous self-assemblies consisting of fully sp 3-hybridized …

Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory

T Demján, M Vörös, M Palummo, A Gali - The Journal of chemical …, 2014 - pubs.aip.org
Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages.
Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal …

Vibrationally resolved absorption, emission and resonance Raman spectra of diamondoids: a study based on time-dependent correlation functions

S Banerjee, P Saalfrank - Physical Chemistry Chemical Physics, 2014 - pubs.rsc.org
The time-dependent approach to electronic spectroscopy, as popularized by Heller and
coworkers in the 1980's, is applied here in conjunction with linear-response, time-dependent …