scholarly journals Electronic Excited States of the Intramolecular Exciplex and Charge-transfer Complex in (9,10-Dicyanoanthracene)(CH2)3-(Naphthalene)

1974 ◽  
Vol 47 (5) ◽  
pp. 1078-1080 ◽  
Author(s):  
Michiya Itoh ◽  
Tsutomu Mimura ◽  
Toshihiko Okamoto
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Charge Transfer Complex ◽  
Electronic Excited States

Electronic structure and spectra of (Cu2O)n–H2O complexes

2015 ◽  
Vol 17 (1) ◽  
pp. 428-433 ◽  
Author(s):  
Ioannis D. Petsalakis ◽  
Giannoula Theodorakopoulos ◽  
Jerry Whitten
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Surface Structure ◽  
Excited States ◽  
Electronic Excited States ◽  
Mesh Surface

(Cu2O)n clusters form nanobarrels with a square mesh surface structure. Low-lying charge-transfer electronic excited states of (Cu2O)n–H2O are determined.

Study on excited states of hexamethoxybenzene-NO+ charge-transfer complex: incorporation of excited radical cation

2012 ◽  
Vol 39 (1) ◽  
pp. 425-435 ◽  
Author(s):  
Nobuyuki Ichinose ◽  
Masahide Hagiri ◽  
Jun-ichiro Kinugasa ◽  
Nobuyuki Shichi ◽  
Toshihiro Nakayama
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Radical Cation ◽  
Charge Transfer Complex ◽  
Excited Radical

Contrasting Behaviour of Exciplex Ensembles in the Diastereodifferentiating Paternò–Büchi Reaction of Chiral Cyanobenzoate with Naphthyl- and Phenylethenes on Direct or Charge-Transfer Excitation

2015 ◽  
Vol 68 (11) ◽  
pp. 1693 ◽  
Author(s):  
Keisuke Nagasaki ◽  
Yoshihisa Inoue ◽  
Tadashi Mori
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Charge Transfer Complex ◽  
Small Temperature ◽  
Acceptor Interaction ◽  
Subtle Change ◽  
Excited Species ◽  
Donor Acceptor ◽  
Charge Transfer Excitation ◽  
The Difference

The diastereodifferentiating Paternò–Büchi reaction of chiral cyanobenzoate with 1-(1-naphthyl)-1-phenylethene was compared with those with 1,1-diphenylethene on direct and charge-transfer excitations. By desymmetrization of the donor, four diastereomeric oxetane products were formed on photolysis in excellent combined yields. Increase in donor strength induced a stronger charge-transfer interaction both in ground and excited states. Thus, the difference in diastereoselectivities with two different excitation modes (i.e. direct versus charge-transfer) became less significant with a naphthyl derivative as donor. A subtle change of donor–acceptor interaction was shown to have profound effect on the nature of the excited-state complexes and thus the product (stereo)selectivities. Despite a small temperature dependence, an Eyring-type study on the diastereoselectivities confirmed that the excited charge-transfer complex is an excited species distinct from the conventional exciplex.

scholarly journals The Effect of N-Heterocyclic Carbene Units on the Absorption Spectra of Fe(II) Complexes: A Challenge for Theory

2020 ◽  
Author(s):  
Olga S. Bokareva ◽  
Omar Baig ◽  
Mohamed Al-Marri ◽  
Oliver Kühn ◽  
Leticia Gonzalez
Keyword(s):  
Charge Transfer ◽  
Absorption Spectra ◽  
Excited States ◽  
Partial Charge Transfer ◽  
Polypyridyl Ligands ◽  
Electronic Excited States ◽  
Heteroleptic Complexes ◽  
Ligand Charge Transfer ◽  
Exact Exchange ◽  
Triplet Excited States

<div>The absorption spectra of five Fe(II) homoleptic and heteroleptic complexes containing strong sigma-donating N-heterocyclic carbene (NHC) and polypyridyl ligands have been theoretically characterized using a tuned range-separation functional.</div><div>From a benchmark comparison of the obtained results against other functionals and a multiconfigurational reference, it is concluded that none of the methods is completely satisfactory to describe the absorption spectra.</div><div>Using a compromised choice of 20\% exact exchange, the electronic excited states underlying the absorption spectra are analyzed.</div><div>The low-lying energy band of all the compounds shows predominant metal-to-ligand charge transfer (MLCT) character while the triplet excited states have metal-centered (MC) nature, which becomes more pronounced with increasing the number of NHC-donor groups. Excited MC states with partial charge transfer to the NHC-donor groups are higher in energy than comparable states without these contributions. The presence of the low-lying MC states prevents the formation of long-lived MLCT states.</div>

Photochemistry using a host–guest charge transfer paradigm: DMABN as a dynamical probe of ground and excited states

2021 ◽  
Vol 23 (15) ◽  
pp. 9280-9284
Author(s):  
Rahul Gera ◽  
Jyotishman Dasgupta
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Charge Transfer Complex ◽  
Water Soluble ◽  
Molecular Probe ◽  
Transfer Paradigm

Dimethylaminobenzonitrile (DMABN) is used as a molecular probe of structural and dynamical aspects of a water-soluble host–guest charge transfer complex.

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