Spectroscopy/Spectrometry Flashcards
What is spectroscopy?
interaction of rays or waves with molescules
What types of spectroscopy are there?
- X-Ray diffraction
- UV/Vis Spectroscopy
- IR Spectroscopy
- NMR spectroscopy
- Mass spectroscopy
What is a spectrum?
out come of the measurement
How does X-ray diffraction work?
- crystal structures can be determined by allowing a sample of crystalline compound to difract X-rays
- resulting diffraction pattern allows determination of spatial arrangement of atoms in molecule
What are limiations of X-ray diffraction?
need for crystals (no liquids, oils, etc)
How can structures be determined via UV-Vis spectroscopy?
- graph of light absorbance vs. wavelength in the range of ultraviolet and visible light
- when white light passes through a coloured substance, a portion of wavelength is absorbed (expressing the complimentary colour)
How can absorbance be calculated?
Absorbance = log (I0 /I)
What is Lambert - Beer Law

What are chromophores?
light absorbing structural units
What does conjugation lead to in absorbance of structures?
conjugation leads to smaller energy gaps between HOMO and LUMO
What is bathochromic?
a shift of absorption to a longer wavelength
What is hypsochromic
a shift in absorbtion to a shorter wavelength
How do IR spectrums work?
- allows direct observation of functional groups through detection of stretching and bending of bonds (rather than atoms themselves)
usually, when a molecule vibratesm all bonds stretch and relax in combination. Under what conditions do bonds stretch independently?
bonds are:
- much stronger or weaker than other nearby
- between atoms that are much heavier or lighter than neighbours
Do stronger bonds vibrate faster or slower?
faster
Do lighter atoms vibrate more or less?
vibrate more
Does more virbation mean absorption of short or long wavelength (high or low frequency)?
more vibration means, absorption of short wavelenghts and higher frequency
What bonds can be found in IR spectrum from 4,000 to 2500 cm-1
bond to hydrogen
- O - H
- N - H
- C - H

what bonds can be found in the between the 2500 to 2000 IR spectrum
Triple bonds

What bonds can be found from 2000 to 1500 cm-1?
Double bonds
- C=O
- C=N
- C=C
What bonds can be from 1500 and less cm-1?
single bonds
What is mass spectrometry?
determination of molecular weight and elemental composition of molecule
How does mass spectrometry work?
- ionization of the sample (giving mono, di, … charged molecule ions or fragments)
- separation of ions according to their mass / charged molecule ions or fragments
- detection
How is the mass spectrum plotted?
intensity of each ion versus its m/z ratio
How is NMR measured?
- Normally in solution
- use of deutured solvents (otherwise big solvent peak)
- using continuous wave instrument (FT NMR instruments)
What spins can nuclei have?
- integral spins (e.g. I = 1, 2, 3, …)
- fractional spins (eg. I = 1/2, 3/2, 5/2, …)
- no spin, I = 0 ( eg. C12, O16, S32, …)
*
What happens to isotopes that do not spin ( I = 0)?
do not interact with magnetic field (not detectable by NMR)