Rotation and isomerization of diphenylbutadiene and 4-(methanol)stilbene in supercritical (CO2 - A re-examination

R. Biswas; K. Dahl; M. Maroncelli

doi:10.1021/jp021538p

Rotation and isomerization of diphenylbutadiene and 4-(methanol)stilbene in supercritical (CO₂ - A re-examination

R. Biswas, K. Dahl, M. Maroncelli

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Abstract

The rates of excited-state rotation and isomerization of trans,trans-1,4-diphenylbutadiene (DPB) and 4-(methanol)stilbene (HMS) in supercritical CO₂ (T = 36 °C, ρ = 0.4-2ρ_c) were measured using time-resolved emission methods. These measurements were prompted by a discrepancy between rotation times recently simulated for these systems (Patel, N.; Biswas, R.; Maroncelli, M. J. Phys. Chem. B 2002, 106, 3306-3318) and earlier experimental results. The present data show the rotation times of the two solutes to be approximately equal and linear functions of (bulk) solvent density, consistent with the simulations. The rate of isomerization of HMS decreases approximately linearly with solvent density, whereas the isomerization of DPB is remarkably insensitive to density.

Original language	English (US)
Pages (from-to)	11593-11595
Number of pages	3
Journal	Journal of Physical Chemistry B
Volume	106
Issue number	44
DOIs	https://doi.org/10.1021/jp021538p
State	Published - Nov 7 2002

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

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title = "Rotation and isomerization of diphenylbutadiene and 4-(methanol)stilbene in supercritical (CO2 - A re-examination",

abstract = "The rates of excited-state rotation and isomerization of trans,trans-1,4-diphenylbutadiene (DPB) and 4-(methanol)stilbene (HMS) in supercritical CO2 (T = 36 °C, ρ = 0.4-2ρc) were measured using time-resolved emission methods. These measurements were prompted by a discrepancy between rotation times recently simulated for these systems (Patel, N.; Biswas, R.; Maroncelli, M. J. Phys. Chem. B 2002, 106, 3306-3318) and earlier experimental results. The present data show the rotation times of the two solutes to be approximately equal and linear functions of (bulk) solvent density, consistent with the simulations. The rate of isomerization of HMS decreases approximately linearly with solvent density, whereas the isomerization of DPB is remarkably insensitive to density.",

author = "R. Biswas and K. Dahl and M. Maroncelli",

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T1 - Rotation and isomerization of diphenylbutadiene and 4-(methanol)stilbene in supercritical (CO2 - A re-examination

AU - Biswas, R.

AU - Dahl, K.

AU - Maroncelli, M.

PY - 2002/11/7

Y1 - 2002/11/7

N2 - The rates of excited-state rotation and isomerization of trans,trans-1,4-diphenylbutadiene (DPB) and 4-(methanol)stilbene (HMS) in supercritical CO2 (T = 36 °C, ρ = 0.4-2ρc) were measured using time-resolved emission methods. These measurements were prompted by a discrepancy between rotation times recently simulated for these systems (Patel, N.; Biswas, R.; Maroncelli, M. J. Phys. Chem. B 2002, 106, 3306-3318) and earlier experimental results. The present data show the rotation times of the two solutes to be approximately equal and linear functions of (bulk) solvent density, consistent with the simulations. The rate of isomerization of HMS decreases approximately linearly with solvent density, whereas the isomerization of DPB is remarkably insensitive to density.

AB - The rates of excited-state rotation and isomerization of trans,trans-1,4-diphenylbutadiene (DPB) and 4-(methanol)stilbene (HMS) in supercritical CO2 (T = 36 °C, ρ = 0.4-2ρc) were measured using time-resolved emission methods. These measurements were prompted by a discrepancy between rotation times recently simulated for these systems (Patel, N.; Biswas, R.; Maroncelli, M. J. Phys. Chem. B 2002, 106, 3306-3318) and earlier experimental results. The present data show the rotation times of the two solutes to be approximately equal and linear functions of (bulk) solvent density, consistent with the simulations. The rate of isomerization of HMS decreases approximately linearly with solvent density, whereas the isomerization of DPB is remarkably insensitive to density.

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JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 44

ER -

Rotation and isomerization of diphenylbutadiene and 4-(methanol)stilbene in supercritical (CO₂ - A re-examination

Abstract

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