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Korakot Navakhun. Anions recognitions of trisubstituted isophthalamide-base anion receptors: DFT studies. (). King Mongkut's University of Technology North Bangkok. Central Library. : , 2016.
Anions recognitions of trisubstituted isophthalamide-base anion receptors: DFT studies
Name: Pantipa Chungla
Organization :
Ramkhamhaeng University. Faculty of Science
Name: Korakot Navakhun
Organization :
Ramkhamhaeng University. Faculty of Science
Email :
n_korakot@ru.ac.th
Abstract:
Structures and anion recognitions of nine anion receptors, N,N'-bis(2,4,6-
trichlorophenyl)isophthalamide, 1, N,N'-bis(2,4,5-trichlorophenyl)isophthalamide, 2, N,N'-bis
(2,4,6tribromophenyl)isophthalamide, 3, N,N'-bis(2,4,6-trichlorophenyl)pyridine-2,6-
dicarboxamide, 4, N,N'-bis(2,4,5-trichlorophenyl)pyridine-2,6-dicarboxamide, 5, N,N'-
bis(2,4,6-tribromophenyl)pyridine-2,6-dicarboxamide, 6, 2,6-bis(2,4,6trichlorophenyl
carbamoyl)pyridinium, 7, 2,6-bis(2,4,5-trichlorophenylcarbamoyl)pyridinium, 8, 2,6-bis(2,4,6-
tribromophenylcarbamoyl)pyridinium, 9, have been studies using computational methods. The
optimized structures and thermodynamic properties have been investigated with the density
functional theory (DFT) at the B3LYP/6-31+G(d) level of theory. The calculation results show
that most of the amide-based anion receptors 19 prefer to bind fluoride ion due to their lowest
change of enthalpy (ΔH298) and standard Gibbs free energy change (ΔG298) comparing with
those of chloride, bromide, dihydrogenphosphate, hydrogensulphate and nitrate complexes.
The compound 7 bound excellently with fluoride ion due to their lower the ΔH298 (-158.07
kcal.mol-1) and ΔG298 (-149.93 kcal.mol-1).
King Mongkut's University of Technology North Bangkok. Central Library
Address:
BANGKOK
Email:
library@kmutnb.ac.th
Created:
2016
Modified:
2019-11-21
Issued:
2019-11-21
บทความ/Article
application/pdf
BibliograpyCitation :
In Chemical Society of Thailand under the Patronage of Professor Dr. HRH Princess Chulabhorn and Chulalongkorn University Faculty of science. Pure and Applied Chemistry International Conference (PACCON 2016) (pp.621-625). Bangkok : Chemical Society of Thailand under the Patronage of Professor Dr. HRH Princess Chulabhorn
eng
©copyrights King Mongkut's University of Technology North Bangkok
RightsAccess:
ใช้เวลา
0.028893 วินาที
Pantipa Chungla
| Title | Contributor | Type |
|---|---|---|
| Anions recognitions of trisubstituted isophthalamide-base anion receptors: DFT studies
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Pantipa Chungla;Korakot Navakhun | บทความ/Article | |
| Anion recognition of Trichlorophenyl Amide-Based anion receptors
มหาวิทยาลัยรามคำแหง Pantipa Chungla. | Korakot Navakhun Vachiraporn Ajavakom Ramkhamhaeng University. Ramkhamhaeng University. | วิทยานิพนธ์/Thesis |
Korakot Navakhun
| Title | Contributor | Type |
|---|---|---|
| Synthesis of diazadithiol calix[4]arene for heavy metal ions separation
จุฬาลงกรณ์มหาวิทยาลัย Korakot Navakhun | Thawatchai Tuntulani | วิทยานิพนธ์/Thesis |
| Structural analysis and Fmoc-Leu-Asn-Phe-OMe tripeptide binding properties of betulinic acid and its derivative
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Korakot Navakhun;Narongdech Khobsantia | บทความ/Article | |
| Synthesis and halide ions recognition properties of halide substituted isophthalamide-based anion receptors
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Korakot Navakhun;Varat Techawan | บทความ/Article | |
| Anions recognitions of trisubstituted isophthalamide-base anion receptors: DFT studies
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Pantipa Chungla;Korakot Navakhun | บทความ/Article |