Journal ArticleDOI
Vibrational spectra of piperidine, pyrrolidine, morpholine, and their n-methyl derivatives adsorbed on aerosil silica
TLDR
In this paper, the i.r. and Raman spectra of piperidine, pyrrolidine, morpholine, their N-methyl derivatives were obtained for the adsorbed state, aqueous solution, and liquid state.About:
This article is published in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.The article was published on 1980-01-01. It has received 18 citations till now. The article focuses on the topics: Morpholine & Pyrrolidine.read more
Citations
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Journal ArticleDOI
The spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method.
S. Sebastian,N. Sundaraganesan +1 more
TL;DR: The results show that charge in electron density (ED) in the sigma* antibonding orbitals and E (2) energies confirms the occurrence of ICT (Intra-molecular Charge Transfer) within the molecule.
Journal ArticleDOI
Molecular structure and vibrational spectra of piperidine and 4-methylpiperidine by density functional theory and ab initio Hartree Fock calculations
TL;DR: In this paper, the molecular geometry and vibrational frequencies of piperidine and 4-methylpiperidine in the ground state have been calculated by using the Hartree-Fock and density functional methods (B3LYP and BLYP) with 6-31 G(d) as the basis set.
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On structural phase transitions in piperidinium halogenoantimonates(III) and bismuthates(III): X-ray, calorimetric, dilatometric, dielectric and Raman studies
TL;DR: In this article, three piperidinium analogues (C5H10NH2, 2BiCl5, and 2SbBr5) have been studied by means of differential scanning calorimetry, thermal expansion, dielectric and Raman scattering techniques.
Journal ArticleDOI
Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6-diphenylpiperidin-4-one.
TL;DR: A newly synthesized molecular complex 3-chloro-3-methyl-2,6-diphenylpiperidin-4-one [CMDP] crystallizes in the triclinic space group P1 and Hirshfeld surface analysis and fingerprint plots are supportive for determining the molecular shape and visually analyzing the intermolecular interactions in the crystal structure.
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Molecular structure, vibrational spectra (FTIR and FT Raman) and natural bond orbital analysis of 4-Aminomethylpiperidine: DFT study
TL;DR: The spectroscopic and natural bonds orbital (NBO) analysis confirms the occurrence of intra molecular hydrogen bonds, electron delocalization and steric effects of 4-Aminomethylpiperidine and the calculated HOMO and LUMO energies show that charge transfer occur within the molecule.
References
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Journal ArticleDOI
An infrared study of pyridine adsorbed on acidic solids. Characterization of surface acidity
TL;DR: In this article, the infrared spectrum of pyridine coordinately bonded to the surface of acid solids has been determined and a rough estimate of the strength of surface Lewis sites can be inferred.
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Infrared Spectra of Organic Ammonium Compounds
Journal ArticleDOI
Conformational equilibria in some cyclic imines: NH and CH stretching vibrations and the axial lone pair
P. J. Krueger,J. Jan +1 more
TL;DR: In this article, a trans orientation of the N lone pair orbital and one or more hydrogen atoms on adjacent carbons was shown to lower the relevant vCH ("Bohlmann" bands) and raise vNH reflecting an increase in the s-character of the CH bond(s), consistent with partial delocalization of the lone pair electrons into the CN bond.
Journal ArticleDOI
Raman Spectra of Adsorbed Heterocyclic Molecules on Silica
G. C. Curthoys,R. P. Cooney +1 more
TL;DR: Raman spectroscopy has been employed in several investigations of oxide surfaces as discussed by the authors, which has been one of the more informative techniques in the study of surfaces and surface-absorbed molecules.
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NH stretching frequencies and the structures of I2 and IBr complexes with piperidine and piperazine
Y. Okishi,Yoshika Imai,Koyo Aida +2 more