Quantum chemical studies of light harvesting

C Curutchet, B Mennucci - Chemical reviews, 2017 - ACS Publications
The design of optimal light-harvesting (supra) molecular systems and materials is one of the
most challenging frontiers of science. Theoretical methods and computational models play a …

Ultrafast dynamics of carotenoid excited states− from solution to natural and artificial systems

T Polívka, V Sundström - Chemical reviews, 2004 - ACS Publications
Carotenoids are, along with chlorophylls, the most abundant pigments found in nature. They
are present in most organisms including humans but can be synthesized only by plants and …

Enhanced two‐photon absorption of organic chromophores: theoretical and experimental assessments

F Terenziani, C Katan, E Badaeva, S Tretiak… - Advanced …, 2008 - Wiley Online Library
Functional organic materials with enhanced two‐photon absorption lead to new
technologies in the fields of chemistry, biology, and photonics. In this article we review …

Photosynthetic light-harvesting (antenna) complexes—structures and functions

H Lokstein, G Renger, JP Götze - Molecules, 2021 - mdpi.com
Chlorophylls and bacteriochlorophylls, together with carotenoids, serve, noncovalently
bound to specific apoproteins, as principal light-harvesting and energy-transforming …

The vibronic structure of electronic absorption spectra of large molecules: a time-dependent density functional study on the influence of “Exact” Hartree− Fock …

M Dierksen, S Grimme - The Journal of Physical Chemistry A, 2004 - ACS Publications
The functional dependence of excited-state geometries and normal modes calculated with
time-dependent density functional theory (TDDFT) is investigated on the basis of vibronic …

Effect of a conjugated carbonyl group on the photophysical properties of carotenoids

D Zigmantas, RG Hiller, FP Sharples… - Physical Chemistry …, 2004 - pubs.rsc.org
Effects of introducing a carbonyl group into the conjugation system of carotenoids were
studied for four naturally occurring carotenoids: peridinin, fucoxanthin, siphonaxanthin and …

Synthesis, Fluorescence, and Two‐Photon Absorption of a Series of Elongated Rodlike and Banana‐Shaped Quadrupolar Fluorophores: A Comprehensive Study of …

O Mongin, L Porrès, M Charlot, C Katan… - … A European Journal, 2007 - Wiley Online Library
An extensive series of push–push and pull–pull derivatives was prepared from the
symmetrical functionalization of an ambivalent core with conjugated rods made from arylene …

Electronic and vibrational properties of carotenoids: from in vitro to in vivo

MJ Llansola-Portoles, AA Pascal… - Journal of the royal …, 2017 - royalsocietypublishing.org
Carotenoids are among the most important organic compounds present in Nature and play
several essential roles in biology. Their configuration is responsible for their specific …

Quantum chemical description of absorption properties and excited‐state processes in photosynthetic systems

C König, J Neugebauer - ChemPhysChem, 2012 - Wiley Online Library
The theoretical description of the initial steps in photosynthesis has gained increasing
importance over the past few years. This is caused by more and more structural data …

Ultrafast dynamics and excited state spectra of open-chain carotenoids at room and low temperatures

D Niedzwiedzki, JF Koscielecki, H Cong… - The Journal of …, 2007 - ACS Publications
Many of the spectroscopic features and photophysical properties of carotenoids are
explained using a three-state model in which the strong visible absorption of the molecules …