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Title: A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability

Abstract

Rigid tricyclic locked in all axial 1,3,5-cyclohexanetriol derivatives with 0–3 trifluoromethyl groups were synthesized and photoelectron spectra of their conjugate bases and chloride anion clusters are reported along with density functional computations. The resulting vertical and adiabatic detachment energies provide measures of the anion stabilization due to the hydrogen bond network and inductive effects. The latter mechanism is found to be transmitted through space via hydrogen bonds

Authors:
; ;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
1170482
Report Number(s):
PNNL-SA-103120
48136; KC0301020
DOE Contract Number:
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry A, 118(31):5989-5993
Country of Publication:
United States
Language:
English
Subject:
Environmental Molecular Sciences Laboratory

Citation Formats

Samet, Masoud, Wang, Xue B., and Kass, Steven R. A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability. United States: N. p., 2014. Web. doi:10.1021/jp505308v.
Samet, Masoud, Wang, Xue B., & Kass, Steven R. A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability. United States. doi:10.1021/jp505308v.
Samet, Masoud, Wang, Xue B., and Kass, Steven R. 2014. "A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability". United States. doi:10.1021/jp505308v.
@article{osti_1170482,
title = {A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability},
author = {Samet, Masoud and Wang, Xue B. and Kass, Steven R.},
abstractNote = {Rigid tricyclic locked in all axial 1,3,5-cyclohexanetriol derivatives with 0–3 trifluoromethyl groups were synthesized and photoelectron spectra of their conjugate bases and chloride anion clusters are reported along with density functional computations. The resulting vertical and adiabatic detachment energies provide measures of the anion stabilization due to the hydrogen bond network and inductive effects. The latter mechanism is found to be transmitted through space via hydrogen bonds},
doi = {10.1021/jp505308v},
journal = {Journal of Physical Chemistry A, 118(31):5989-5993},
number = ,
volume = ,
place = {United States},
year = 2014,
month = 8
}
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