Fluorinated alcohols are used as solvents for proteins, organic compounds, and peptides, they are also known to be used in the organic synthesis industry due to its strong hydrogen bonding character. Halogenated hydrocarbons are mostly synthetically produced, and they don’t exist naturally in the environment. Bond dissociation energies values can be used to explain reactivity and stability of chemical compounds. The objective of this research work is to calculate standard enthalpy of formation, and bond dissociation energy values for 18 different fluorinated ethanol; tri- fluorinated ethanol, tetra- fluorinated ethanol, and penta- fluorinated ethanol using Gaussian M-062x/6-31+g (d,p) method. Structures and thermochemical properties of Tri-, Tetra-, and Penta-Fluorinated Ethanol’s and its Radicals were determined by the Gaussian M-062x/6-31+g (d,p) calculation: Enthalpies of formation for 18 fluorinated ethanol and some radicals were calculated with a popular ab initio and density functional theory methods: the Gaussian M-062x/6-31+g (d,p) via several series of isodesmic reactions. Bond dissociation energies for these fluorinated ethanol’s and its radicals were also calculated.
| Published in | American Journal of Physical Chemistry (Volume 11, Issue 2) |
| DOI | 10.11648/j.ajpc.20221102.12 |
| Page(s) | 32-44 |
| Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
| Copyright |
Copyright © The Author(s), 2024. Published by Science Publishing Group |
Enthalpy of Formation, Bond Dissociation Energy, Fluorinated Ethanol’s, Gaussian M-062x/6-31+g (d,p), Computation, Thermochemical, Tri-Fluorinated Ethanol, Tetra-Fluorinated Ethanol, Penta-Fluorinated Ethanol
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APA Style
Hebah Abdel-Wahab, Joseph Bozzelli. (2022). Thermochemical Value Tables Enthalpy of Formation and Bond Dissociation Energy for Multi-Fluorinated Ethanol’s and Its Radicals at Standard Conditions. American Journal of Physical Chemistry, 11(2), 32-44. https://doi.org/10.11648/j.ajpc.20221102.12
ACS Style
Hebah Abdel-Wahab; Joseph Bozzelli. Thermochemical Value Tables Enthalpy of Formation and Bond Dissociation Energy for Multi-Fluorinated Ethanol’s and Its Radicals at Standard Conditions. Am. J. Phys. Chem. 2022, 11(2), 32-44. doi: 10.11648/j.ajpc.20221102.12
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Download@article{10.11648/j.ajpc.20221102.12,
author = {Hebah Abdel-Wahab and Joseph Bozzelli},
title = {Thermochemical Value Tables Enthalpy of Formation and Bond Dissociation Energy for Multi-Fluorinated Ethanol’s and Its Radicals at Standard Conditions},
journal = {American Journal of Physical Chemistry},
volume = {11},
number = {2},
pages = {32-44},
doi = {10.11648/j.ajpc.20221102.12},
url = {https://doi.org/10.11648/j.ajpc.20221102.12},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajpc.20221102.12},
abstract = {Fluorinated alcohols are used as solvents for proteins, organic compounds, and peptides, they are also known to be used in the organic synthesis industry due to its strong hydrogen bonding character. Halogenated hydrocarbons are mostly synthetically produced, and they don’t exist naturally in the environment. Bond dissociation energies values can be used to explain reactivity and stability of chemical compounds. The objective of this research work is to calculate standard enthalpy of formation, and bond dissociation energy values for 18 different fluorinated ethanol; tri- fluorinated ethanol, tetra- fluorinated ethanol, and penta- fluorinated ethanol using Gaussian M-062x/6-31+g (d,p) method. Structures and thermochemical properties of Tri-, Tetra-, and Penta-Fluorinated Ethanol’s and its Radicals were determined by the Gaussian M-062x/6-31+g (d,p) calculation: Enthalpies of formation for 18 fluorinated ethanol and some radicals were calculated with a popular ab initio and density functional theory methods: the Gaussian M-062x/6-31+g (d,p) via several series of isodesmic reactions. Bond dissociation energies for these fluorinated ethanol’s and its radicals were also calculated.},
year = {2022}
}
TY - JOUR T1 - Thermochemical Value Tables Enthalpy of Formation and Bond Dissociation Energy for Multi-Fluorinated Ethanol’s and Its Radicals at Standard Conditions AU - Hebah Abdel-Wahab AU - Joseph Bozzelli Y1 - 2022/07/12 PY - 2022 N1 - https://doi.org/10.11648/j.ajpc.20221102.12 DO - 10.11648/j.ajpc.20221102.12 T2 - American Journal of Physical Chemistry JF - American Journal of Physical Chemistry JO - American Journal of Physical Chemistry SP - 32 EP - 44 PB - Science Publishing Group SN - 2327-2449 UR - https://doi.org/10.11648/j.ajpc.20221102.12 AB - Fluorinated alcohols are used as solvents for proteins, organic compounds, and peptides, they are also known to be used in the organic synthesis industry due to its strong hydrogen bonding character. Halogenated hydrocarbons are mostly synthetically produced, and they don’t exist naturally in the environment. Bond dissociation energies values can be used to explain reactivity and stability of chemical compounds. The objective of this research work is to calculate standard enthalpy of formation, and bond dissociation energy values for 18 different fluorinated ethanol; tri- fluorinated ethanol, tetra- fluorinated ethanol, and penta- fluorinated ethanol using Gaussian M-062x/6-31+g (d,p) method. Structures and thermochemical properties of Tri-, Tetra-, and Penta-Fluorinated Ethanol’s and its Radicals were determined by the Gaussian M-062x/6-31+g (d,p) calculation: Enthalpies of formation for 18 fluorinated ethanol and some radicals were calculated with a popular ab initio and density functional theory methods: the Gaussian M-062x/6-31+g (d,p) via several series of isodesmic reactions. Bond dissociation energies for these fluorinated ethanol’s and its radicals were also calculated. VL - 11 IS - 2 ER -
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