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Related Concept Videos

Aromatic Hydrocarbon Cations: Structural Overview01:18

Aromatic Hydrocarbon Cations: Structural Overview

Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group with both...
Nomenclature of Carboxylic Acid Derivatives: Amides and Nitriles01:11

Nomenclature of Carboxylic Acid Derivatives: Amides and Nitriles

Naming Amides
The IUPAC and common names of amides are derived from the parent carboxylic acid, by replacing the suffix “oic acid” and “ic acid,” respectively, with “amide.” In the following example, the IUPAC name ethanamide is derived from ethanoic acid, and the common name, acetamide, is obtained from acetic acid.
Structures of Carboxylic Acid Derivatives01:28

Structures of Carboxylic Acid Derivatives

Structure of Carboxylic Acid Derivatives
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the unhybridized p...
Structures of Aldehydes and Ketones01:04

Structures of Aldehydes and Ketones

Vanillin—a flavoring agent in vanilla, cinnamaldehyde—a molecule responsible for the distinct smell of cinnamon, and acetone—a strong-smelling ingredient in nail polish removers, all belong to a class of carbonyl compounds called aldehydes and ketones (Figure 1). Although both aldehydes and ketones contain the characteristic carbonyl (C=O) bond, their chemical structures vary with respect to the groups directly attached to the carbonyl carbon.
In aldehydes (Figures 1a and 1b), the carbonyl...
Aromatic Hydrocarbon Anions: Structural Overview01:18

Aromatic Hydrocarbon Anions: Structural Overview

Neutral hydrocarbons like cyclopentadiene with an odd number of carbon atoms and one intervening CH2 group in the ring are not aromatic. Cyclopentadiene with 4 π electrons does not satisfy the 4n + 2 π electron rule. Additionally, the intervening CH2 group is sp3 hybridized and lacks a vacant p orbital, thereby interrupting the overlap of p orbitals in a continuous manner and preventing the delocalization of π electrons throughout the ring.
Due to the absence of continuous overlap of p...
Aldehydes and Ketones with HCN: Cyanohydrin Formation Overview01:32

Aldehydes and Ketones with HCN: Cyanohydrin Formation Overview

Cyanohydrins are compounds that contain –CN and –OH groups on the same carbon atom. They are formed by the nucleophilic addition of the cyanide ions to the carbonyl group. Cyanide ions are highly basic and nucleophilic and can be generated from HCN under aqueous conditions. However, since HCN is a weak acid, the number of cyanide ions generated is very small. Hence, a small amount of base or KCN/NaCN is added to HCN to increase the concentration of the cyanide ions in the reaction mixture.

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Microwave-assisted Intramolecular Dehydrogenative Diels-Alder Reactions for the Synthesis of Functionalized Naphthalenes/Solvatochromic Dyes
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Molecular structures, spectral and computational studies on nicotinohydrazides.

A Manimekalai1, N Saradhadevi, A Thiruvalluvar

  • 1Department of Chemistry, Annamalai University, Annamalainagar, Chidambaram, India. profmeka1@gmail.com

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|July 20, 2010
PubMed
Summary

This study analyzes two novel hydrazides using spectroscopy and theoretical calculations. Results confirm their keto form and predict stable conformations, offering insights into their molecular structure and potential non-linear optical properties.

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Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
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Area of Science:

  • Organic Chemistry
  • Computational Chemistry
  • Spectroscopy

Background:

  • Hydrazides are versatile organic compounds with diverse applications.
  • Understanding their structural and electronic properties is crucial for designing new materials.

Purpose of the Study:

  • To characterize N'-(2-methyl-3-phenylallylidene)nicotinohydrazide and N'-(2-methyl-3-phenylallylidene)isonicotinohydrazide.
  • To investigate their keto-enol tautomerism, conformational preferences, and non-linear optical (NLO) properties.

Main Methods:

  • Fourier Transform Infrared (FT-IR) and Nuclear Magnetic Resonance (NMR) spectroscopy ((1)H, (13)C, (1)H-(1)H COSY).
  • Density Functional Theory (DFT) and Hartree-Fock (HF) methods for theoretical calculations.
  • X-ray Diffraction (XRD) for structural validation.

Main Results:

  • Spectroscopic analysis confirmed the keto form of both hydrazides.
  • Theoretical calculations predicted minimum energy conformers with syn azomethine protons.
  • HOMO-LUMO energy gap, geometrical parameters, and vibrational frequencies were derived and compared with experimental data.
  • Non-linear optical properties (dipole moment, polarizability, hyperpolarizability) were investigated.

Conclusions:

  • The study provides a comprehensive characterization of the two novel hydrazides.
  • The findings offer valuable insights into their structure-property relationships.
  • The investigation into NLO properties suggests potential applications in optoelectronic materials.