volume 6 issue 1 pages 181-186

The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions

Publication typeJournal Article
Publication date2005-09-23
scimago Q2
wos Q1
SJR0.633
CiteScore5.6
Impact factor3.4
ISSN15287483, 15287505
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
DFT calculations were used to compare the magnitude of steric repulsion to the strength of secondary bonding interactions (SBIs) in the (Te−N)2 supramolecular synthon to explain or predict the supramolecular structures assembled by two derivatives of the 1,2,5-telluradiazole ring:  benzo-2,1,3-telluradiazole (4c) and 3,6-dibromobenzo-2,1,3-telluradiazole (5). The crystallographically determined structures were consistent with the computational predictions. In sharp contrast with the previously known structures of its sulfur and selenium analogues, 4c forms infinite ribbon chains in the solid state with 2.682(7)−2.720(7) A Te−N SBIs. Steric hindrance in 5 restricted the supramolecular association to form discrete dimers with 2.697(8) A Te−N SBIs. In addition to discrete dimers, the dibromo derivative crystallizes as solvated dimers in 5·DMSO with 2.834(5) A Te−O SBIs. Other weaker SBIs were identified in the crystal lattices and were assessed by the computational method.
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Cozzolino A. F., Britten J. F., Vargas-Baca I. The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions // Crystal Growth and Design. 2005. Vol. 6. No. 1. pp. 181-186.
GOST all authors (up to 50) Copy
Cozzolino A. F., Britten J. F., Vargas-Baca I. The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions // Crystal Growth and Design. 2005. Vol. 6. No. 1. pp. 181-186.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1021/cg050260y
UR - https://doi.org/10.1021/cg050260y
TI - The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions
T2 - Crystal Growth and Design
AU - Cozzolino, Anthony F.
AU - Britten, James F.
AU - Vargas-Baca, Ignacio
PY - 2005
DA - 2005/09/23
PB - American Chemical Society (ACS)
SP - 181-186
IS - 1
VL - 6
SN - 1528-7483
SN - 1528-7505
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2005_Cozzolino,
author = {Anthony F. Cozzolino and James F. Britten and Ignacio Vargas-Baca},
title = {The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions},
journal = {Crystal Growth and Design},
year = {2005},
volume = {6},
publisher = {American Chemical Society (ACS)},
month = {sep},
url = {https://doi.org/10.1021/cg050260y},
number = {1},
pages = {181--186},
doi = {10.1021/cg050260y}
}
MLA
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MLA Copy
Cozzolino, Anthony F., et al. “The Effect of Steric Hindrance on the Association of Telluradiazoles through Te−N Secondary Bonding Interactions.” Crystal Growth and Design, vol. 6, no. 1, Sep. 2005, pp. 181-186. https://doi.org/10.1021/cg050260y.