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Title: The single electron chemistry of coals

Abstract

TCNQ Charge Transfer Complexes with Coals. TCNQ can be readily deposited in coals from pyridine solution. IR spectra of TCNQ and TCNQ in Illinois No. 6 coal are shown in Fig. 1. It is clear that the stretching frequency has been shifted by the full 44 cm[sup [minus]1] caused by the transfer of a single electron. Similar behavior has been observed with a variety of coals, including lignites, subbituminous and a range of bituminous coals. There are two possible explanations for the observed shift. The simplest explanation is that there exist in coals structures which are excellent single electron donors capable of transferring an electron to TCNQ in the ground state. All of the TCNQ dissolved in the coal is shifted. No uncomplexed TCNQ remains in the sample, as demonstrated by the absence of the unaltered CN stretch at 2227 cm[sup [minus]1]. The spectrum shown is for TCNQ in coal in a molar concentration equivalent to approximately 20% of the PNA systems in this coal as deduced from the NMR studies of Solum et al. (1989). It is highly unlikely that 20% of the PNA systems in coal are such good electron donors that the charge transfer complex would havemore » an electron transferred in the ground state. The second explanation is that cooperative interactions between the TCNQ and the aromatic systems in coal have led to the formation of an extended valance band structure, that the TCNQ LUMO is part of this band structure, and that the band is half filled.« less

Authors:
;
Publication Date:
Research Org.:
Lehigh Univ., Bethlehem, PA (United States). Dept. of Chemistry
Sponsoring Org.:
USDOE; USDOE, Washington, DC (United States)
OSTI Identifier:
7031054
Report Number(s):
DOE/PC/89785-3
ON: DE93008383
DOE Contract Number:  
FG22-89PC89785
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 01 COAL, LIGNITE, AND PEAT; AROMATICS; INFRARED SPECTRA; INTERACTIONS; COAL; BINDING ENERGY; CHEMISTRY; ELECTRONS; PROGRESS REPORT; CARBONACEOUS MATERIALS; DOCUMENT TYPES; ELEMENTARY PARTICLES; ENERGY; ENERGY SOURCES; FERMIONS; FOSSIL FUELS; FUELS; LEPTONS; MATERIALS; ORGANIC COMPOUNDS; SPECTRA; 400201* - Chemical & Physicochemical Properties; 010600 - Coal, Lignite, & Peat- Properties & Composition

Citation Formats

Larsen, J W, and Flowers, II, R A. The single electron chemistry of coals. United States: N. p., 1990. Web. doi:10.2172/7031054.
Larsen, J W, & Flowers, II, R A. The single electron chemistry of coals. United States. https://doi.org/10.2172/7031054
Larsen, J W, and Flowers, II, R A. 1990. "The single electron chemistry of coals". United States. https://doi.org/10.2172/7031054. https://www.osti.gov/servlets/purl/7031054.
@article{osti_7031054,
title = {The single electron chemistry of coals},
author = {Larsen, J W and Flowers, II, R A},
abstractNote = {TCNQ Charge Transfer Complexes with Coals. TCNQ can be readily deposited in coals from pyridine solution. IR spectra of TCNQ and TCNQ in Illinois No. 6 coal are shown in Fig. 1. It is clear that the stretching frequency has been shifted by the full 44 cm[sup [minus]1] caused by the transfer of a single electron. Similar behavior has been observed with a variety of coals, including lignites, subbituminous and a range of bituminous coals. There are two possible explanations for the observed shift. The simplest explanation is that there exist in coals structures which are excellent single electron donors capable of transferring an electron to TCNQ in the ground state. All of the TCNQ dissolved in the coal is shifted. No uncomplexed TCNQ remains in the sample, as demonstrated by the absence of the unaltered CN stretch at 2227 cm[sup [minus]1]. The spectrum shown is for TCNQ in coal in a molar concentration equivalent to approximately 20% of the PNA systems in this coal as deduced from the NMR studies of Solum et al. (1989). It is highly unlikely that 20% of the PNA systems in coal are such good electron donors that the charge transfer complex would have an electron transferred in the ground state. The second explanation is that cooperative interactions between the TCNQ and the aromatic systems in coal have led to the formation of an extended valance band structure, that the TCNQ LUMO is part of this band structure, and that the band is half filled.},
doi = {10.2172/7031054},
url = {https://www.osti.gov/biblio/7031054}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 24 00:00:00 EDT 1990},
month = {Tue Jul 24 00:00:00 EDT 1990}
}