Q1. What is the Schrodinger equation? What is it used for?

The Schrödinger equation in mathematical form typically written as:

Hψ(x, t) = Eψ(x, t)
While:
H: Represents the Hamiltonian operator, a mathematical entity that encodes the total
energy of the system. It usually involves terms for kinetic and potential energy.
x: Represents the spatial coordinates (position) of the particle.
t: Represents time.
A key equation in quantum mechanics that explains how a physical system's quantum
state varies over time is the Schrödinger equation. It was created. Wave functions, which
are mathematical representations of the probability amplitudes of several possible states
of a quantum system, are commonly used to express the equation.
While the time-independent Schrödinger equation is used to determine the permitted
energy levels and corresponding wave functions for stationary states of a quantum
system, the time-dependent Schrödinger equation defines how the wave function of a
quantum system evolves over time.

At the level of the microscopic, the behavior of particles and systems, including atoms,
molecules, and subatomic particles, may be understood and predicted using the
Schrödinger equation. It is essential to quantum chemistry, atomic physics, condensed
matter physics, and many other branches of engineering and physics that use quantum
mechanics. It offers a framework for figuring out characteristics like energy levels, the
likelihood of particular experiment results, and how matter behaves in various scenarios.
Q2. Please list all thermodynamic properties that you know and their
characteristics. Why are they classified as macroscopic properties?
Thermodynamic properties are characteristics of a system that describe its state and
behavior under different conditions.
Temperature (T): Temperature measures the average kinetic energy of the particles in a
system. It determines the direction of heat flow between two systems in contact and is
related to the thermal equilibrium of the system.
Pressure (P): A substance's force per unit area applied to its surroundings is known as
pressure. It measures a system's mechanical energy and has the ability to modify its
temperature and volume.
Volume (V): Volume is the amount of space occupied by a system. It can change
depending on factors such as temperature and pressure.
Internal Energy (U): Internal energy is the sum of the kinetic and potential energies of
the particles in a system. It is a measure of the total energy contained within the system.
Enthalpy (H): The total internal energy of a system multiplied by the product of its
volume and pressure is known as enthalpy. It shows a system's total heat content under
constant pressure.
Entropy (S): An indicator of a system's disorder or randomness is entropy. It measures
how energy is distributed throughout a system and, in isolated systems, tends to rise with
time.
Gibbs Free Energy (G): A system's maximum usable work that can be extracted at
constant pressure and temperature is measured using Gibbs free energy. It integrates the
impacts of process changes in entropy and enthalpy.

Q4. Please compare the total energy of the two optical isomers of
Bromochlorofluoromethane (CHBrClF). (e.g., which one has higher energy? Why?)

In order to compare the total energy of the two optical isomers of

bromochlorofluoromethane (CHBrClF), we must take into account any variations in their
energy resulting from stereochemistry as well as their individual molecular structures.

Molecular entities that are non-superimposable mirror images of one another are referred
to as optical isomers, or enantiomers. Regarding bromochlorofluoromethane, two optical
isomers could exist:

The compounds are called (R)- and (S)-bromochlorofluoromethane.

A molecule's overall energy depends on a number of variables, such as bond energies,

bond angles, and the atoms' spatial arrangement. Nonetheless, based on the structural
distinctions between the two optical isomers, we can draw broad conclusions in the lack
of precise information on these variables.

The (R)- and (S)- forms of Bromochlorofluoromethane are mirror images of each other,
so they have identical bond energies and bond angles. Therefore, their total energy
difference would likely arise from any differences in the spatial arrangement of atoms. In
many cases, such differences can lead to slight variations in energy due to factors such as
steric hindrance or electronic effects. It is difficult to conclude with certainty which
optical isomer of bromochlorofluoromethane has a larger energy without knowing more
about the precise chemical structure and the nature of the interactions inside the
molecule. Nonetheless, the energy difference between optical isomers is often negligible,
and their total energies may even be comparable. The energy difference between the two
isomers may be better understood using computational approaches like quantum chemical
calculations or experimental techniques like spectroscopy.

Q3. Please analyze the detailed interaction/energies for the following molecules?

• If your student’s ID number is an odd number, please work on O2 and HCl • If your
student’s ID number is an even number, please work on N2 and HBr