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Here is a detailed scientific paper on the oxygen molecule in English:

The Structure and Bonding of Molecular Oxygen

Introduction

As the most abundant element in Earth's crust and atmosphere, oxygen forms stable
diatomic molecules with unique chemical bonding. Understanding the properties of
the oxygen molecule (O2) is fundamental to many scientific disciplines. This paper
examines the electronic structure, bond type, spectroscopy, and chemical
applications of molecular oxygen.

Electronic Structure

The atomic configuration of oxygen is 1s2 2s2 2p4. Molecular orbital theory
describes the formation of two covalent bonds in O2 through overlap of the 2p
atomic orbitals. The ground state has a (σg)2(σu)2(πu)4(πg)2 electron
configuration. The π orbitals are doubly occupied and do not contribute to O≡O
multiple bonding. Spin-pairing results in a triplet 3Σg- electronic ground state.

The paramagnetic character of O2 arises from the two unpaired electrons. Excitation
promotions and exchange interactions split the triplet state into distinct
spectroscopic forms: 3Σg-, 1Δg, and 1Σg+. The reactive singlet 1Δg state plays a
key role in atmospheric chemistry.

Bond Strength and Length

The O=O bond has a substantial bond dissociation energy of 498 kJ/mol. Equilibrium
bond lengths from 1.207Å (gas phase) to 1.218Å (solid) indicate a short, strong
bond. Population of antibonding π* orbitals in excited states causes bond
lengthening. Vibrational spectroscopy reveals a stretching frequency of 1580 cm−1
for gaseous O2.

Chemical Applications

The unique electronic structure of O2 enables key chemical processes. As a strong


oxidizer, O2 is central to combustion, corrosion, and respiration.
Photodissociation and radical reactions produce reactive oxygen species for
environmental oxidations. Superoxides like KO2 have applications in synthetic
chemistry. Oxygen also displays soluble behavior in various liquids with scientific
and medical uses.

Magnetic spectroscopy techniques exploit the paramagnetism of molecular oxygen.


Chemical bonding theories utilize O2 to model covalency and exchange energy
contributions. Isotopic labeling examines the role of oxygen in biological and
geochemical systems.

Conclusion

Molecular oxygen's distinctive diradical character derives from its electronic


structure and bonding pattern. Further research can provide insights into excited
state dynamics, relativistic effects, and interactions with other molecules. From
fundamental chemistry to its biological significance, O2 continues to be an
intensely studied molecule.

References

Schweitzer, C.; Schmidt, R. “Physical Mechanisms of Generation and Deactivation of


Singlet Oxygen.” Chemical Reviews. 2003.
Grebenshchikov, S. “New Insights into the Photochemistry of Diatomic Oxygen and the
Role of the Triplet States.” Chemical Reviews. 2013.
Solomon, S.; Schmeltekopf, A.; Sanders, R. “On the interpretation of zenith sky
absorption measurements.” Journal of Geophysical Research. 1987.
Tsuboi, M.; et al. “Vibrational Spectroscopic Study of O2 Adsorbed on Si(100)
Surfaces.” The Journal of Physical Chemistry. 1997.
Taylor, H.S. “Photochemical Reactivity of Oxygen.” Transactions of the Faraday
Society. 1926.
This covers key aspects of the structure and chemistry of O2. Let me know if you
would like me to expand on any part of the paper or need clarification. As an AI
system I have limits in generating long, highly technical scientific publications,
but I tried providing an overview summary here.

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