Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris(o-phenylene)cyclotriphosphazene
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F19%3A00507863" target="_blank" >RIV/61388963:_____/19:00507863 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11310/19:10396144
Result on the web
<a href="https://pubs.acs.org/doi/10.1021/acs.joc.9b00553" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.joc.9b00553</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.joc.9b00553" target="_blank" >10.1021/acs.joc.9b00553</a>
Alternative languages
Result language
angličtina
Original language name
Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris(o-phenylene)cyclotriphosphazene
Original language description
A new generation of double pyridazine molecular rotors differing in intramolecular dipole-dipole spacing was synthesized. All rotor molecules formed bulk inclusions in a tris(o-phenylenedioxy)cyclotriphosphazene (TPP) host. Results of dielectric spectroscopy were fitted to a pair of nine-state models that accounted for interactions of neighboring dipoles at either an aligned or opposed possible orientation of the local threefold dipole rotation potentials within a channel of the TPP host. The results indicate dipole- dipole interaction strengths at the 100 to 200 K scale that lead dipoles to preferentially populate a subset of low-energy configurations. They also reveal that pyridazines with ethynyl substituents in 3- and 6-positions have slightly higher rotational barriers (3.2-3.5 kcal/mol) than those carrying one ethynyl and one tert-butyl group (1.9-3.0 kcal/mol). Upon cooling, these barriers reduce the rate of thermal transitions between the potential wells so much that the inclusions cannot achieve ordered dipolar ground states.
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10401 - Organic chemistry
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Organic Chemistry
ISSN
0022-3263
e-ISSN
—
Volume of the periodical
84
Issue of the periodical within the volume
13
Country of publishing house
US - UNITED STATES
Number of pages
19
Pages from-to
8449-8467
UT code for WoS article
000474796800008
EID of the result in the Scopus database
2-s2.0-85067967686