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Title: Million-fold electrical conductivity enhancement in Fe 2(DEBDC) versus Mn 2(DEBDC) (E = S, O)

Reaction of FeCl 2 and H 4DSBDC (2,5-disulfhydrylbenzene-1,4-dicarboxylic acid) leads to the formation of Fe 2(DSBDC), an analogue of M 2(DOBDC) (MOF-74, DOBDC 4– = 2,5-dihydroxybenzene-1,4-dicarboxylate). The bulk electrical conductivity values of both Fe 2(DSBDC) and Fe 2(DOBDC) are ~6 orders of magnitude higher than those of the Mn 2+ analogues, Mn 2(DEBDC) (E = O, S). Because the metals are of the same formal oxidation state, the increase in conductivity is attributed to the loosely bound Fe 2+ β-spin electron. Lastly, these results provide important insight for the rational design of conductive metal–organic frameworks, highlighting in particular the advantages of iron for synthesizing such materials.
Authors:
 [1] ;  [2] ;  [1] ;  [2] ;  [1]
  1. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  2. Univ. of Bath, Bath (United Kingdom)
Publication Date:
Grant/Contract Number:
SC0006937
Type:
Published Article
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Volume: 137; Journal Issue: 19; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society (ACS)
Research Org:
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1179607
Alternate Identifier(s):
OSTI ID: 1345981; OSTI ID: 1454937

Sun, Lei, Hendon, Christopher H., Minier, Mikael A., Walsh, Aron, and Dinca, Mircea. Million-fold electrical conductivity enhancement in Fe2(DEBDC) versus Mn2(DEBDC) (E = S, O). United States: N. p., Web. doi:10.1021/jacs.5b02897.
Sun, Lei, Hendon, Christopher H., Minier, Mikael A., Walsh, Aron, & Dinca, Mircea. Million-fold electrical conductivity enhancement in Fe2(DEBDC) versus Mn2(DEBDC) (E = S, O). United States. doi:10.1021/jacs.5b02897.
Sun, Lei, Hendon, Christopher H., Minier, Mikael A., Walsh, Aron, and Dinca, Mircea. 2015. "Million-fold electrical conductivity enhancement in Fe2(DEBDC) versus Mn2(DEBDC) (E = S, O)". United States. doi:10.1021/jacs.5b02897.
@article{osti_1179607,
title = {Million-fold electrical conductivity enhancement in Fe2(DEBDC) versus Mn2(DEBDC) (E = S, O)},
author = {Sun, Lei and Hendon, Christopher H. and Minier, Mikael A. and Walsh, Aron and Dinca, Mircea},
abstractNote = {Reaction of FeCl2 and H4DSBDC (2,5-disulfhydrylbenzene-1,4-dicarboxylic acid) leads to the formation of Fe2(DSBDC), an analogue of M2(DOBDC) (MOF-74, DOBDC4– = 2,5-dihydroxybenzene-1,4-dicarboxylate). The bulk electrical conductivity values of both Fe2(DSBDC) and Fe2(DOBDC) are ~6 orders of magnitude higher than those of the Mn2+ analogues, Mn2(DEBDC) (E = O, S). Because the metals are of the same formal oxidation state, the increase in conductivity is attributed to the loosely bound Fe2+ β-spin electron. Lastly, these results provide important insight for the rational design of conductive metal–organic frameworks, highlighting in particular the advantages of iron for synthesizing such materials.},
doi = {10.1021/jacs.5b02897},
journal = {Journal of the American Chemical Society},
number = 19,
volume = 137,
place = {United States},
year = {2015},
month = {5}
}