MindMap Gallery Application of Spectral Analysis in Organic Chemistry
This is a mind map about the application of spectrum analysis in organic chemistry. The main content includes absorption spectrum, infrared spectrum, and nuclear magnetic resonance.
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Application of Spectral Analysis in Organic Chemistry
absorption spectrum
Features
Less sample consumption
No damage to samples (except MS)
Fast analysis
Accurate results
Pop formation principle
Organic molecules with different structures can selectively absorb the energy of electromagnetic waves, causing the molecules to transition from the ground state to the excited state. The absorption of characteristic energy forms a specific absorption spectrum.
Movement of atoms and electrons in molecules
Transition motion of bonding electrons
vibrations of bonded atoms
molecular rotation
Energy level size comparison
Electronic transition (1~20ev)
Valence bond vibration (0.005~1ev)
Molecular rotation (0.0001~0.05ev)
Absorption of electromagnetic radiation of different energies corresponds to different motions in molecules
Cosmic rays, gamma rays, x-rays - nuclear fission
Ultraviolet, visible light - valence electron energy level transition
Infrared Spectroscopy - Molecular Vibrations
Microwaves, radio waves—nuclear spin energy level transitions
IR
Fundamental
When infrared light of a certain frequency irradiates organic molecules with a specific structure, and its energy is equal to the vibration energy level, the molecules will resonate and form an absorption spectrum.
Molecular valence bond vibration types
Basic regions where different functional groups appear in infrared photocouples
The first peak area (4000-2500) is the stretching vibration of X-H
The second peak area (2500-1900) is the stretching vibration of triple bonds and accumulated double bonds.
The stretching vibration of the double bond and the bending vibration of O-H and N-H in the third peak area (1900-1330)
The fourth peak area 91330-650) fingerprint area, single bond stretching vibration and various bending except hydrogen bonds
Factors affecting the characteristic frequency of groups
electronic effect
hydrogen bond formation
Factors affecting the absorption intensity of characteristic peaks
Valence bond structure and (change in dipole moment) of functional groups
Sample concentration (transition probability)
NMR
Fundamental
The spinning atomic nucleus absorbs radio waves in an external magnetic field, causing nuclear spin energy level transitions to produce nuclear magnetic resonance spectra.
chemical shift
principle
Movement of NMR absorption positions caused by electron shielding and deshielding effects
Influencing factors
Induction effect: the relative displacement value increases with the increase in the electronegativity of neighboring atoms or atomic groups.
Anisotropic Effect: Anisotropy of Aromatic Rings, Double and Triple Bond Compounds
Spin coupling and spin splitting
main reason
Optional coupling between protons on two adjacent carbons
spin coupling limit
There is no coupling between magnetically equivalent protons
When two magnetically unequal protons are separated by more than three o bonds, coupling will not occur.
Magnetically unequal protons on the same carbon can couple and split
Analysis of hydrogen nuclear magnetic resonance spectrum
Determine the type of hydrogen atom based on the number of peaks
Various peak area ratios know the relative numbers of each type of hydrogen
Determine the chemical environment of each type of hydrogen based on chemical shifts