Absorption, emission, time resolved fluorescence spectra and molecular modelling of 2-anisidine (2AS) with α-CD and β-CD in pH~2, pH~7 and pH~11 solutions were examined. Cu: 2AS: CD nanomaterials were investigated by SEM, DSC, FTIR, XRD and 1H NMR techniques. The absorption and emission maxima and spectral shape of 2AS in all the pH solutions and solvents are different from each other. 2AS gave a single broad emission spectrum in all the solvents while dual emission noticed at pH~11. The lifetimes of the inclusion complexes were longer than that of the free 2AS molecule. The geometrical restriction of the α-CD cavity likely limits the free rotation of the amino and methoxy groups, thereby enhancing the emission intensity. The calculated HOMO–LUMO energy gap, total energy, free energy, enthalpy, entropy, dipole moment, and zero-point vibrational energy of the CD: 2AS complex differed significantly from those of the isolated 2AS, α-CD and β-CD molecules, and both the vertical and horizontal bond lengths between the amino and methoxy groups are smaller than the β-CD cavity size confirming the formation of an inclusion complex. In FTIR, most of the peaks are not appeared and a substantial decrease in intensity was noted in the Cu: 2AS: CD nano. The chemical shift value of 2AS protons are shifts to up field and down field and the peak intensities are very low in the nano copper with CD nanomaterials. SEM image of the nanomaterials are different from isolated 2AS molecule.
| Published in | Science Journal of Chemistry (Volume 14, Issue 2) |
| DOI | 10.11648/j.sjc.20261402.11 |
| Page(s) | 38-48 |
| 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), 2026. Published by Science Publishing Group |
2-Anisidine, Copper Nano, Cyclodextrin, Inclusion Complex, Nanomaterials
Concentration of α-CD x10-3 mol/dm3 | pH - 2.0 | pH - 7 | pH - 11 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
abs | log | flu | τ | abs | log | flu | τ | abs | log | flu | τ | |
2AS only (without CD) | 269 215 | 2.38 | 297 | 0.59 | 282 231 | 3.53 | 342 | 0.61 | 282 231 | 3.41 | 341 300 | - 0.54 |
0.002 mol/dm3 α-CD | 269 215 | 3.43 | 295 | 0.65 | 282 232 | 3.54 | 340 | 0.68 | 282 232 | 3.41 | 438 344 300 | 0.67 0.14 |
0.01 mol/dm3 α-CD | 269 215 | 3.41 | 296 | 0.80 | 283 233 | 3.59 | 340 | 0.82 | 283 231 | 3.40 | 438 342 | 0.82 0.24 |
0.002 mol/dm3 β-CD | 268 215 | 3.41 | 297 | 0.68 | 279 232 | 3.45 | 440 306 | 0.76 0.14 | 282 233 | 3.41 | 440 344 | 0.70 0.16 |
0.01 mol/dm3 β-CD | 269 216 | 3.47 | 305 | 0.87 | 273 214 | 3.36 | 440 306 | 0.86 0.24 | 283 232 | 3.47 | 440 354 | 0.89 0.26 |
α-CD- K (1: 1) x105 dm3/mol | 89 | 278 | 62 | 229 | 88 | 124 | ||||||
β-CD- K (1: 1) x105 dm3/mol | 140 | 388 | 133 | 597 | 94 | 357 | ||||||
α-CD- G (kJmol-1) | -47.28 | -59.41 | -43.51 | -57.32 | -47.28 | -48.53 | ||||||
β-CD- G (kJmol-1) | -52.3 | -63.18 | -51.46 | -67.36 | -48.12 | -61.92 | ||||||
Excitation wavelength (nm) | 260 | 280 | 270 | |||||||||
Properties | 2AS | α-CD | β-CD | 2AS: α-CD | 2AS: β-CD |
|---|---|---|---|---|---|
EHOMO (eV) | -8.13 | -10.38 | -10.35 | -7.92 | -7.99 |
ELUMO (eV) | 0.34 | 1.26 | 1.23 | 0.52 | 0.63 |
EHOMO – ELUMO (eV) | -8.47 | -11.63 | -11.58 | -8.44 | -8.62 |
Dipole moment (D) | 2.03 | 11.34 | 12.29 | 11.69 | 11.97 |
E (k J/mol) | -65.06 | -5219.62 | -6098.72 | -5407.86 | -6001.36 |
E (k J/mol) | -121.04 | -25.86 | |||
G (k J/mol) | 270.45 | -2388.39 | -2793.03 | 2604.21 | 3125.11 |
ΔG (k J/mol) | -485.34 | -602.50 | |||
H (k J/mol) | 385.35 | -2829.93 | -3303.35 | 3059.55 | 3528.87 |
ΔH (k J/mol) | -614.96 | -610.86 | |||
S (k J/mol) | 0.385 | 1.477 | 1.711 | 1.782 | 1.887 |
ΔS (k J/mol) | -0.079 | -0.210 | |||
ZPE* | 69.96 | 635.09 | 740.56 | 703.46 | 808.36 |
Mullikan charge | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Protons | 2AS (δ) | Cu: 2AS: α-CD | Cu: 2AS: β-CD |
|---|---|---|---|
Ha - para to OCH3 | 6.76 | 8.27 | 8.29 |
Hb -ortho to OCH3 | 6.74 | 5.69 | 5.71 |
Hc –Meta to OCH3 | 6.70 | 4.79 | 4.81 |
Hd –ortho to NH2 | 6.65 | 4.46 | 4.48 |
He -OCH3 | 3.77 | 2.48 | 2.50 |
Hf - NH2 | 3.70 | 2.05 | 2.07 |
FTIR | Fourier Transform Infrared Spectroscopy |
DTA | Differential Thermal Analysis |
XRD | X-ray Diffraction |
SEM | Scanning Electron Microscopy |
HOMO | Highest Occupied Molecular Orbital |
LUMO | Lowest Unoccupied Molecular Orbital |
2AS | 2-Anisidine |
Ag NPs | Silver Nanoparticles |
α-CD | Alpha Cyclodextrin |
β-CD | Beta Cyclodextrin |
PM3 | Parametric Method 3 |
ΔE | Iinternal Energy Change |
ΔH | Enthalpy Change |
ΔG | Free Energy Change |
ΔS | Entropy Change |
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APA Style
Rajendiran, N., Mani, A., Ramasamy, P., Senthilmurugan, S. (2026). Synthesis of Copper: 2-Anisidine: Cyclodextrin Nanomaterials and Characterization of 2-Anisidine–Cyclodextrin Inclusion Complexes at Various pH Conditions. Science Journal of Chemistry, 14(2), 38-48. https://doi.org/10.11648/j.sjc.20261402.11
ACS Style
Rajendiran, N.; Mani, A.; Ramasamy, P.; Senthilmurugan, S. Synthesis of Copper: 2-Anisidine: Cyclodextrin Nanomaterials and Characterization of 2-Anisidine–Cyclodextrin Inclusion Complexes at Various pH Conditions. Sci. J. Chem. 2026, 14(2), 38-48. doi: 10.11648/j.sjc.20261402.11
@article{10.11648/j.sjc.20261402.11,
author = {Narayanasamy Rajendiran and Ayyadurai Mani and Palanichamy Ramasamy and Sengamalai Senthilmurugan},
title = {Synthesis of Copper: 2-Anisidine: Cyclodextrin Nanomaterials and Characterization of 2-Anisidine–Cyclodextrin Inclusion Complexes at Various pH Conditions},
journal = {Science Journal of Chemistry},
volume = {14},
number = {2},
pages = {38-48},
doi = {10.11648/j.sjc.20261402.11},
url = {https://doi.org/10.11648/j.sjc.20261402.11},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sjc.20261402.11},
abstract = {Absorption, emission, time resolved fluorescence spectra and molecular modelling of 2-anisidine (2AS) with α-CD and β-CD in pH~2, pH~7 and pH~11 solutions were examined. Cu: 2AS: CD nanomaterials were investigated by SEM, DSC, FTIR, XRD and 1H NMR techniques. The absorption and emission maxima and spectral shape of 2AS in all the pH solutions and solvents are different from each other. 2AS gave a single broad emission spectrum in all the solvents while dual emission noticed at pH~11. The lifetimes of the inclusion complexes were longer than that of the free 2AS molecule. The geometrical restriction of the α-CD cavity likely limits the free rotation of the amino and methoxy groups, thereby enhancing the emission intensity. The calculated HOMO–LUMO energy gap, total energy, free energy, enthalpy, entropy, dipole moment, and zero-point vibrational energy of the CD: 2AS complex differed significantly from those of the isolated 2AS, α-CD and β-CD molecules, and both the vertical and horizontal bond lengths between the amino and methoxy groups are smaller than the β-CD cavity size confirming the formation of an inclusion complex. In FTIR, most of the peaks are not appeared and a substantial decrease in intensity was noted in the Cu: 2AS: CD nano. The chemical shift value of 2AS protons are shifts to up field and down field and the peak intensities are very low in the nano copper with CD nanomaterials. SEM image of the nanomaterials are different from isolated 2AS molecule.},
year = {2026}
}
TY - JOUR T1 - Synthesis of Copper: 2-Anisidine: Cyclodextrin Nanomaterials and Characterization of 2-Anisidine–Cyclodextrin Inclusion Complexes at Various pH Conditions AU - Narayanasamy Rajendiran AU - Ayyadurai Mani AU - Palanichamy Ramasamy AU - Sengamalai Senthilmurugan Y1 - 2026/04/10 PY - 2026 N1 - https://doi.org/10.11648/j.sjc.20261402.11 DO - 10.11648/j.sjc.20261402.11 T2 - Science Journal of Chemistry JF - Science Journal of Chemistry JO - Science Journal of Chemistry SP - 38 EP - 48 PB - Science Publishing Group SN - 2330-099X UR - https://doi.org/10.11648/j.sjc.20261402.11 AB - Absorption, emission, time resolved fluorescence spectra and molecular modelling of 2-anisidine (2AS) with α-CD and β-CD in pH~2, pH~7 and pH~11 solutions were examined. Cu: 2AS: CD nanomaterials were investigated by SEM, DSC, FTIR, XRD and 1H NMR techniques. The absorption and emission maxima and spectral shape of 2AS in all the pH solutions and solvents are different from each other. 2AS gave a single broad emission spectrum in all the solvents while dual emission noticed at pH~11. The lifetimes of the inclusion complexes were longer than that of the free 2AS molecule. The geometrical restriction of the α-CD cavity likely limits the free rotation of the amino and methoxy groups, thereby enhancing the emission intensity. The calculated HOMO–LUMO energy gap, total energy, free energy, enthalpy, entropy, dipole moment, and zero-point vibrational energy of the CD: 2AS complex differed significantly from those of the isolated 2AS, α-CD and β-CD molecules, and both the vertical and horizontal bond lengths between the amino and methoxy groups are smaller than the β-CD cavity size confirming the formation of an inclusion complex. In FTIR, most of the peaks are not appeared and a substantial decrease in intensity was noted in the Cu: 2AS: CD nano. The chemical shift value of 2AS protons are shifts to up field and down field and the peak intensities are very low in the nano copper with CD nanomaterials. SEM image of the nanomaterials are different from isolated 2AS molecule. VL - 14 IS - 2 ER -