Ion-pair charge transfer complexes with intense near IR absorption: Syntheses, crystal structures, electronic spectra and DFT calculations

Polyhedron ◽  
2008 ◽  
Vol 27 (13) ◽  
pp. 2833-2844 ◽  
Author(s):  
Bing-Qian Yao ◽  
Jia-Sen Sun ◽  
Zheng-Fang Tian ◽  
Xiao-Ming Ren ◽  
Da-Wei Gu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Dft Calculations ◽  
Crystal Structures ◽  
Electronic Spectra ◽  
Ion Pair ◽  
Charge Transfer Complexes ◽  
Ir Absorption ◽  
Near Ir

Optical waveguide studies on photoinduced electrochromism in ultrathin films of ion-pair charge-transfer complexes of 4,4′-bipyridinium ions

1994 ◽  
Vol 243 (1-2) ◽  
pp. 660-663 ◽  
Author(s):  
Toshihiko Nagamura ◽  
Hiroshi Sakaguchi ◽  
Kyoichi Sasaki ◽  
Chihiro Mochizuki ◽  
Kuniyuki Suzuki
Keyword(s):  
Charge Transfer ◽  
Optical Waveguide ◽  
Ultrathin Films ◽  
Ion Pair ◽  
Charge Transfer Complexes

Crystal Structures and Electrical Properties of Hexacyano-Butadiene (HCBD) Charge Transfer Complexes

1985 ◽  
Vol 120 (1) ◽  
pp. 345-348 ◽  
Author(s):  
Gunzi Saito ◽  
Toshiaki Enoki ◽  
Hiroo Inokuchi ◽  
Hiroaki Kumagai ◽  
Chuji Katayama ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Electrical Properties ◽  
Crystal Structures ◽  
Charge Transfer Complexes

Charge transfer complexes between 2-, 3- and 4-aminopyridines and some π-acceptors in the gas phase and in chloroform: DFT calculations

2016 ◽  
Vol 15 (04) ◽  
pp. 1650029 ◽  
Author(s):  
Nuha Ahmed Wazzan
Keyword(s):  
Charge Transfer ◽  
Dft Calculations ◽  
Gas Phase ◽  
Density Functional ◽  
Molecular Structures ◽  
Basis Set ◽  
Charge Transfer Complexes ◽  
Good Correspondence ◽  
Electronic Distribution ◽  
Picryl Chloride

This work reports density functional theory (DFT) calculations on the molecular structures, electronic distribution, and UV-Vis and IR spectroscopy analysis of charge transfer complexes between aminopyridines (APYs), namely 2-APY, 3-APY and 4-APY, as electron-donors and some [Formula: see text]-electron-acceptors, namely chloranil (CHL), tetracyanoethylene (TCNE) and picryl chloride (PC), formed in the gas phase at the B3LYP/6-31[Formula: see text]G(d,p) method/basis set, and in chloroform at the same method/basis set using PCM as solvation model. Good correspondence was generally obtained between the calculated parameters and the experimental ones.

Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat

CrystEngComm ◽  
2017 ◽  
Vol 19 (48) ◽  
pp. 7229-7235 ◽  
Author(s):  
Masatoshi Kawahata ◽  
Masahide Tominaga ◽  
Yumi Maekawa ◽  
Kentaro Yamaguchi
Keyword(s):  
Charge Transfer ◽  
Crystal Structures ◽  
Noncovalent Interactions ◽  
Charge Transfer Complexes ◽  
Host Molecules ◽  
Complexation Stoichiometry

The complexation of paraquat with adamantane-based molecules possessing two or three pyrogallol derivatives as acyclic host molecules afforded charge-transfer cocrystals with a 2 : 1 host : guest complexation stoichiometry through noncovalent interactions.

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