TY - JOUR
T1 - α-Oligofurans show a sizeable extent of π-conjugation as probed by Raman spectroscopy
AU - Capel Ferrón, Cristina
AU - Ruiz Delgado, M. Carmen
AU - Gidron, Ori
AU - Sharma, Sagar
AU - Sheberla, Dennis
AU - Sheynin, Yana
AU - Bendikov, Michael
AU - López Navarrete, Juan T.
AU - Hernández, Víctor
N1 - Ministerio de Ciencia e Innovacion (MICINN) [CTQ2009-10098]; Junta de Andalucia [PO9-FQM-4708]; MINERVA foundation; Israel Science Foundation; Helen and Martin Kimmel Center for Molecular DesignThe work in Spain was supported by the Ministerio de Ciencia e Innovacion (MICINN) through project reference CTQ2009-10098 and by the Junta de Andalucia through research project PO9-FQM-4708. M. C. R. D. thanks the MICINN for a "Ramon y Cajal'' Research contract. The work in Israel was supported by the MINERVA foundation, the Israel Science Foundation, and the Helen and Martin Kimmel Center for Molecular Design. M. B. is a member ad personam of the Lise Meitner-Minerva Center for Computational Quantum Chemistry.
PY - 2012/6/6
Y1 - 2012/6/6
N2 - A Raman spectroscopic analysis revealed that π-conjugation does not reach saturation at least up to the octamer in long α-oligofurans and spreads over 14-15 furan units in the polyfuran. Comparing DFT calculations with experimental results suggests that a considerable amount of HF exchange is required to reproduce computationally the observed conjugation.
AB - A Raman spectroscopic analysis revealed that π-conjugation does not reach saturation at least up to the octamer in long α-oligofurans and spreads over 14-15 furan units in the polyfuran. Comparing DFT calculations with experimental results suggests that a considerable amount of HF exchange is required to reproduce computationally the observed conjugation.
UR - http://www.scopus.com/inward/record.url?scp=84862203298&partnerID=8YFLogxK
U2 - 10.1039/c2cc18144d
DO - 10.1039/c2cc18144d
M3 - مقالة
SN - 1359-7345
VL - 48
SP - 6732
EP - 6734
JO - Chemical Communications
JF - Chemical Communications
IS - 53
ER -