@misc{10481/76679,
year = {2022},
month = {7},
url = {http://hdl.handle.net/10481/76679},
abstract = {A direct, efficient and versatile strategy for the modulation of optoelectronic and magnetic properties of
indeno[1,2-b]fluorene has been developed. 4-Substituted-2,6-dimethylphenyl acetylene groups placed
in the apical carbon of the five-membered rings lead to redshifted absorption maxima (lmax ranging
from 600–700 nm) and considerable narrowing of the HOMO–LUMO energy gap (down to 1.5 eV).
Experimental and theoretical data show an increase in the diradical character (y) and a decrease of the
singlet-triplet energy gap. Moreover, we have investigated the single-molecule conductance of the
antiaromatic indeno[1,2-b]fluorene for the first time by including thiomethyl (-SMe) anchor groups on
the phenylacetylene moiety. Conductance values one order of magnitude higher than those of a
reference linear 3-ring para-phenylene ethylene have been found, despite the longer length of the S-to-
S molecular junction. First principles transport calculations support this high conductance value.},
organization = {MCIN/AEI},
organization = {ERDF A way of making Europe	PGC2018-101873-A-I00	
FEDER/Junta de Andalucia-Consejeria de Economia y Conocimiento	A-FQM-221-UGR18},
organization = {Instituto de Salud Carlos III},
organization = {Spanish Government},
organization = {European Commission	PID2019-106732GB-I00	
PID2019-105458RB-I00	
PRE2018-083406},
organization = {'Severo Ochoa' Programme for Centers of Excellence in RD	SEV-2016-0686},
organization = {'Maria de Maeztu' Programme for Units of Excellence in RD	CEX2018- 000805-M},
organization = {Ministerio de Universidades	FPU19/03751	
MCIN/AEI	PTA2017-13681-I},
organization = {Comunidad de Madrid	2019-T1/IND-16384},
organization = {European Social Fund (ESF)},
publisher = {Royal Society of Chemistry},
title = {Engineering the HOMO–LUMO gap of indeno[1,2- b]fluorene},
doi = {10.1039/d2tc02475f},
author = {Casares López, Raquel and Martínez Pinel, Álvaro and Rodríguez Márquez, Irene and Blanco Suárez, Víctor and Cuerva Carvajal, Juan Manuel and Millán Delgado, Alba},
}