Monochromators

It is a device used to select radiation of (or very close to) a single wavelength or energy.

The monochromator is included as an important device of the optical system of an atomic absorption
spectrophotometer. The function of this device in atomic absorption is to separate the spectral line of
interest from others spectral lines with different wavelengths emitted by the hollow-cathode lamp. The
desired spectral line is chosen with the preferred wavelength and bandwidth by an appropriate
monochromator’s setting named grating. A grating is a reflective surface, scored either mechanically with
parallel grooves that can be designed for different wavelength regions. Generally, most of the instruments
are equipped with two gratings with the goal to cover a wavelength range from 189 to 851 nm which is
used in atomic absorption. A typical monochromator design is shown below. It consists of the diffraction
grating (dispersing element), slits, and spherical mirrors.

. It creates a stream of parallel beams of light that are separated by a prism so each wavelength of light
moves to a different place in space. It generates a beam of light for the instrument.

Ir spectroscopy
Infrared spectroscopy (IR spectroscopy) is the spectroscopy that deals with the infrared region
of the electromagnetic spectrum, that is light with a longer wavelength and lower frequency
than visible light. It covers a range of techniques, mostly based on absorption spectroscopy.
IR Spectroscopy principle is detection of frequencies of infrared light that are absorbed by a
molecule. Molecules tend to absorb these specific frequencies of light since they correspond to
the frequency of the vibration of bonds in the molecule. The purpose of infrared Spectroscopy is
the analysis of infrared light interacting with a molecule. This can be analyzed in three ways by
measuring absorption, emission and reflection. The main use of this technique is in organic and
inorganic chemistry. It is used by chemists to determine functional groups in molecules.
Infrared (IR) spectroscopy uses infrared radiation to excite the molecules of a compound and
generates an infrared spectrum of the energy absorbed by a molecule as a function of the
frequency or wavelength of light. ... For example, O-H bonds are stronger than C-H bonds, so
O-H bonds vibrate at higher frequencies. . As with all spectroscopic techniques, it can be
used to identify and study chemicals. A common laboratory instrument that uses this
technique is a Fourier transform infrared (FTIR) spectrometer

IR Monochromater

A monochromator is a means of separating wavelengths of the source

radiation. The monochromator is used to separate polychromatic radiation
into a suitable monochromatic radiation. This is achieved by means of
prisms or diffraction grating.
An ideal prism instrument would contain large number of prisms made
From different optical materials, so that each could be used in sequence in its
effective region. High resolution prism instruments contain combination of Si02, NaCI
and KBr prisms. Low-cost instruments use a NaCI prism over the
full range. They give highest resolution in the vital finger - print region.
A monochromator thus carries out three functions:
(i) it disperses the
radiation according to its wave number components
(ii) it restricts the radiation
falling on the detector into a narrow wave number range,
(iii) it maintains
the energy incident on the detector to an approximately constant level when
no sample is present throughout the wave number range of the instrument
[61]. Some instruments use a double monochromator. That is, the exist slit of
the first monochromator serves as the entrance slit for the second
monochromator. As a result, the spectra obtained with spectrophotometers
having double monochromator have higher resolution.
Detector
Detectors used in infrared spectrophotometers usually convert the
thermal radiant energy into electrical energy, which can subsequently be

plotted on a chart recorder. There are three catagories of detector;

 Thermal
 Pyroelectric
 Photon detecter

a. Thermal Detectors
The detector mostly produces an electrical signal which is proportional
to the intensity of the incident radiation over the whole spectral range of the
instrument. The most desirable features of the detectors are the closeness
with which they approach the behavior of a black body, high sensitivity, high
speedand robustness.
55
The infrared detectors may be selective or non-selective. The selective
detectors are those whose response is markedly dependent upon the
wavelength of the incident radiation. Examples of this type are photocells,
photographic plates, photoconductive cells and infrared phosphors. The nonselective
detectors are those whose response is directly proportional to
incident energy but relatively independent of wavelength. Common examples
include thermocouples, bolometers and pneumatic cell. Recent detectors are
fabricated from crystals are known as pyroelectrics and take less time than
other thermal detector. Hence with these crystals, radiation can be chopped
at a higher rate. However, these are more expensive and not widely
employed.
Thermocouples consist of a pair of junctions of different metals; for example, two
pieces of bismuth fused to either end of a piece of antimony. The potential
difference (voltage) between the junctions changes according to the difference in
temperature between the junctions

b. Photon Detector
The more sensitive infrared detectors rely on a quantum interaction
between the incident photons and a semiconductor - the result producing
electrons and holes. This is the internal photoeffect. A sufficiently energetic
photon that strikes an electron in the detector can raise that electron from a
nonconducting state into a conducting state. As conductors, electrons
contribute to the current flow in one of two ways, depending on the
configuration of the semiconductor. These are referred to as photovoltaic or
photoconductive cell.
Photoconductive Cells commonly used are indium antimonide (InSb)
or Hg-Cd- Te (MCT), which have high sensitivity and very quick response
time in infrared detection. These detectors operate at liquid nitrogen
temperature which reduces noise. The radiant energy falling on the detector
is converted into measurable electrical energy.
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Photovoltaic Cells are essentially electrical resistors, which decrease
in resistance in relation to the intensity of light striking their surface and are
characterized by greater sensitivity and rapidity of response. They are
constructed from a thin layer (0.1 u) of semiconductor, like lead sulphide and
lead tin telluride. These detectors extend spectral sensitivity up to 3.5 and 6 Jl.
respectively [104].
Thermocouples consist of a pair of junctions of different metals; for example, two
pieces of bismuth fused to either end of a piece of antimony. The potential
difference (voltage) between the junctions changes according to the difference in
temperature between the junctions
Pyroelectric detectors

Pyroelectric detectors are made from a single crystalline wafer of a pyroelectric

material, such as triglycerine sulphate. The properties of a pyroelectric material are
such that when an electric field is applied across it, electric polarisation occurs (this
happens in any dielectric material). In a pyroelectric material, when the field is
removed, the polarisation persists. The degree of polarisation is temperature
dependant. So, by sandwiching the pyroelectric material between two electrodes, a
temperature dependant capacitor is made. The heating effect of incident IR radiation
causes a change in the capacitance of the material. Pyroelectric detectors have a fast
response time. They are used in most Fourier transform IR instruments.
Photoelectric detectors such as the mercury cadmium telluride detector comprise a
film of semiconducting material deposited on a glass surface, sealed in an evacuated
envelope. Absorption of IR promotes nonconducting valence electrons to a higher,
conducting, state. The electrical resistance of the semiconductor decreases. These
detectors have better response characteristics than pyroelectric detectors and are
used in FT-IR instruments - particularly in GC - FT-IR.

Molecular Orbital Theory

Molecular orbital theory predicts the placement of electrons in a molecule. Two or more atoms combine
together to form molecular orbitals. These combination or interaction of atomic orbitals can be bonding or
anti bonding. A bonding orbital is formed by the interaction of two atomic orbitals from the same phase
whereas anti bonding orbital is formed through the different phases. An anti-bonding orbital has a higher
energy compared to that of a bonding orbital. Electrons enter into the lower energy bonding orbitals first
then into the higher energy orbitals.
Number of atomic orbitals and number of molecular orbitals are same. Half of the number of molecular
orbitals are bonding and remaining half are the anti-bonding orbitals. A non-bonding orbital is generated
when atomic orbitals do not interact with each other.
The MO Theory has five basic rules:
1. The number of molecular orbitals = the number of atomic orbitals combined
2. Of the two MO's, one is a bonding orbital (lower energy) and one is an anti-bonding
orbital (higher energy)
3. Electrons enter the lowest orbital available
4. The maximum # of electrons in an orbital is 2 (Pauli Exclusion Principle)
5. Electrons spread out before pairing up (Hund's Rule)
Types of MOT:
In organic chemistry sigma bonds (σ) are always the first bond between two atoms,
resulting from overlap along the bonding axis (of hybrid orbitals), while pi bonds (π)
are second and third bonds resulting from the overlap of p orbitals, above and below
(or in front and back of) the bonding axis.

If same atoms combine together then it is called homo-nuclear diatomic molecular orbital. Examples are
H2, N2, O2, F2, B2, and C2
Two different atoms combine together to form hetero-nuclear diatomic molecular orbitals. Examples are
CO, HF, LiF, and NO.
Two s atomic orbitals together form σ bonding orbital and σ* anti-bonding orbital. And s and one p atomic
orbital can form a bonding σ orbital and anti-bonding σ* orbital. Two p orbitals interact to form one
bonding π orbital and one anti-bonding π* orbital. Bonding orbitals do not contain node but anti-bonding
orbitals contain nodes.
INTRODUCTION
Copper iodide (CuI) is a wide-gap p-type semiconductor
that is expected to be applied as a transparent conductive
material and a transparent transistor.1,2 Thus, CuI has
attracted attention as a hole transport layer of solid-state dye
sensitized solar cells3–5 and perovskite solar cells.6–9 In addition
to solar cells, CuI is also considered to be used as a light
emitting device, because it is a direct transition-type semiconductor.
For the application of these devices, transparency
in the visible light region is essential; however, most of the
reported CuI single crystals were colored.10–12 The origin of
color in these CuI crystals is still controversial. For example,
Gao et al. reported that the color of CuI could be attributed
to adsorbed iodine species on the surface of CuI.10 On the
contrary, according to numerous previous studies, CuI single
crystals also show color depending on their crystal growth
conditions,10–12 suggesting that the coloration in CuI was
caused from defects in the bulk crystal rather than surface

states.