TY - JOUR
T1 - Double-Bond versus Triple Bond Bridges: Does it Matter for the Charge-Transfer Absorption by Donor-Acceptor Chromophores
AU - Kirketerp, Maj-Britt Suhr
AU - Petersen, Michael Åxman
AU - Wanko, Marius
AU - Zettergren, Henning
AU - Rubio, Angel
AU - Nielsen, Mogens Brøndsted
AU - Nielsen, Steen Brøndsted
PY - 2010
Y1 - 2010
N2 - Much work has focused on elucidating the different abilities of alkene and alkyne units to transmit donor-acceptor conjugation. One approach is to compare the characteristic chargetransfer (CT) absorption band maxima.[1] The CT band relies on both donor and acceptor strengths, that is, the energy of the separate HOMO of the donor and the separate LUMO of the acceptor, as well as on the electronic coupling between the two orbitals conveyed by the spacer. In the strong coupling regime, the resulting HOMO and LUMO orbitals are more separated in energy (blue-shifted absorption). In the weak coupling regime, each end of the molecule is unperturbed and the smallest HOMO-LUMO gap is obtained.
AB - Much work has focused on elucidating the different abilities of alkene and alkyne units to transmit donor-acceptor conjugation. One approach is to compare the characteristic chargetransfer (CT) absorption band maxima.[1] The CT band relies on both donor and acceptor strengths, that is, the energy of the separate HOMO of the donor and the separate LUMO of the acceptor, as well as on the electronic coupling between the two orbitals conveyed by the spacer. In the strong coupling regime, the resulting HOMO and LUMO orbitals are more separated in energy (blue-shifted absorption). In the weak coupling regime, each end of the molecule is unperturbed and the smallest HOMO-LUMO gap is obtained.
M3 - Journal article
SN - 1439-4235
VL - 11
SP - 2495
EP - 2498
JO - ChemPhysChem
JF - ChemPhysChem
ER -