Conjugated systemIn physical organic chemistry, a conjugated system is a system of connected p-orbitals with delocalized electrons in a molecule, which in general lowers the overall energy of the molecule and increases stability. It is conventionally represented as having alternating single and multiple bonds. Lone pairs, radicals or carbenium ions may be part of the system, which may be cyclic, acyclic, linear or mixed.
MoleculeA molecule is a group of two or more atoms that are held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions that satisfy this criterion. In quantum physics, organic chemistry, and biochemistry, the distinction from ions is dropped and molecule is often used when referring to polyatomic ions.
Density functional theoryComputational quantum mechanical modelling method to investigate electronic structureDensity functional theory (DFT) is a computational quantum mechanical modeling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases.
AtomSmallest unit of a chemical elementAtoms are the basic particles of the chemical elements and the fundamental building blocks of matter. An atom consists of a nucleus of protons and generally neutrons, surrounded by an electromagnetically bound swarm of electrons. The chemical elements are distinguished from each other by the number of protons that are in their atoms. For example, any atom that contains 11 protons is sodium, and any atom that contains 29 protons is copper.
PhenolPhenol (also known as carbolic acid, phenolic acid, or benzenol) is an aromatic organic compound with the molecular formula C6H5OH. It is a white crystalline solid that is volatile and can catch fire. The molecule consists of a phenyl group (−C6H5) bonded to a hydroxy group (−OH). Mildly acidic, it requires careful handling because it can cause chemical burns. It is acutely toxic and is considered a health hazard.
BenzeneBenzene is an organic chemical compound with the molecular formula C6H6. The benzene molecule is composed of six carbon atoms joined in a planar hexagonal ring with one hydrogen atom attached to each. As it contains only carbon and hydrogen atoms, benzene is a hydrocarbon. Benzene is a natural constituent of petroleum and is one of the elementary petrochemicals.
ElectronThe electron (e, or β in nuclear reactions) is a subatomic particle whose electric charge is negative one elementary charge. It is an elementary particle contained in the matter that makes up the universe. All atoms are composed of electrons, as well as varying numbers protons and neutrons, but the electrons have almost 2,000 times less mass than the other two constituents.
Wave functionMathematical description of quantum stateQuantum harmonic oscillators for a single spinless particle. The oscillations have no trajectory, but are instead represented each as waves; the vertical axis shows the real part (blue) and imaginary part (red) of the wave function. Panels A–D show four different standing-wave solutions of the Schrödinger equation.
Spin (physics)Intrinsic quantum property of particlesSpin is an intrinsic form of angular momentum carried by elementary particles, and thus by composite particles such as hadrons, atomic nuclei, and atoms. Spin is quantized, and accurate models for the interaction with spin require relativistic quantum mechanics or quantum field theory.
Uncertainty principleThe uncertainty principle, also known as Heisenberg's indeterminacy principle, is a fundamental concept in quantum mechanics. It states that there is a limit to the precision with which certain pairs of physical properties, such as position and momentum, can be simultaneously known. In other words, the more accurately one property is measured, the less accurately the other property can be known.
Quantum mechanicsQuantum mechanics, also known as quantum physics, is the fundamental physical theory that describes the behavior of matter and of light; the behaviors it models typically occur at and below the scale of atoms, and have often been described as counterintuitive. Its concepts and methods have been applied across many disciplines, including quantum chemistry, quantum biology, quantum field theory, quantum technology, and quantum information science.
ProbabilityProbability concerns events and numerical descriptions of how likely they are to occur. The probability of an event is a number between 0 and 1; the larger the probability, the more likely an event is to occur. This number is often expressed as a percentage (%), ranging from 0% to 100%. A simple example is the tossing of a fair (unbiased) coin.*As an Amazon Associate I earn from qualifying purchases.