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Concept in chemistry
Intrinsic bond orbitals (IBO) are localized molecular orbitals giving exact and non-empirical representations of wave functions. They are obtained by unitary
Intrinsic_bond_orbitals
Aspect of quantum chemistry
Localized molecular orbitals are molecular orbitals which are concentrated in a limited spatial region of a molecule, such as a specific bond or lone pair on
Localized_molecular_orbitals
Chemical bond by sharing of electron pairs
orbitals on two different atoms. A single bond is usually a σ bond. Pi (π) bonds are weaker and are due to lateral overlap between p (or d) orbitals.
Covalent_bond
Bonding orbital used in quantum chemistry
"natural atomic orbitals" (NAO), "natural hybrid orbitals" (NHO), "natural bonding orbitals" (NBO) and "natural (semi-)localized molecular orbitals" (NLMO).
Natural_bond_orbital
State of an immobilized atom in chemistry
surface, making for almost filled orbitals in arsenic and almost empty orbitals for gallium. Consequently, the dangling bond density at the surface is much
Dangling_bond
Quantum chemistry concept
molecular orbitals (MO) obtained from quantum chemical calculations (DFT for instance), which often provide extensively delocalized orbitals that are hard
Principal_interacting_orbital
Chemical compound
degenerate P-N pi bonding orbitals. Likewise, the LUMOs of PN, which consist of a degenerate PN pi-antibonding set, allow it to backbond with orbitals of appropriate
Phosphorus_mononitride
Intrinsic bond orbitals (IBO) of the molecule [K(PPh2(=S)CCO] reveal molecular orbital describing π-orbital of C-C and C-O and delocalized orbital on
Ketenyl_anion
Chemical compound
density in bonding orbitals towards the α-carbon (and the opposite for the corresponding anti-bonding orbitals) indicates the polarized bond between the
Molybdenum imido alkylidene complex
Molybdenum_imido_alkylidene_complex
Chemistry rule of thumb
often weak due to poor orbital overlap between the n>2 orbitals of the two atoms. Although such compounds are not intrinsically unstable, they instead
Double_bond_rule
Notation for conserved quantities in physics and chemistry
angular nodes present in an orbital. For example, for p orbitals, ℓ = 1 and thus the amount of angular nodes in a p orbital is 1. The magnetic quantum
Quantum_number
tetrahedral Pn4 configuration, however. Nitrogen's orbitals lack diffusivity, and bismuth’s orbitals undergo minimal hybridization due to relativistic
Pnictogen-substituted tetrahedranes
Pnictogen-substituted_tetrahedranes
American Professor of Chemistry
Chemical and Phase Thermodynamics and Discovering Chemistry with Natural Bond Orbitals. His accolades include Alfred P. Sloan Award (1970), Camille Dreyfus
Frank_A._Weinhold
molecular orbitals of [Cu(CF3)4]− are dominated by ligand parentage due to the higher-lying ligand orbitals compared to the metal orbitals, and this inversion
Sigma_non-innocence
Describes the range of energies of an electron within the solid
isolated atom occupy atomic orbitals with discrete energy levels. If two atoms come close enough so that their atomic orbitals overlap, the electrons can
Electronic_band_structure
Different states of quantum systems
Corresponding anti-bonding orbitals can be signified by adding an asterisk to get σ* or π* orbitals. A non-bonding orbital in a molecule is an orbital with electrons
Energy_level
Chemical compound
1002/ange.201005212. ISSN 0044-8249. Knizia, Gerald (2013-10-17). "Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts"
Tris(cyclooctatetraene)triiron
Tris(cyclooctatetraene)triiron
Chemical compound
occupy the lower-energy t2g orbitals. The dz2 and dx2 - y2 orbitals remain largely unoccupied and serve as antibonding orbitals in metal-ligand interactions
Pentacarbonyl(tetrahydrofuran)tungsten
Pentacarbonyl(tetrahydrofuran)tungsten
Mechanism of spontaneous symmetry breaking
at the orbitals. The expected effects for octahedral coordination are given in the following table: w: weak Jahn–Teller effect (t2g orbitals unevenly
Jahn–Teller_effect
Method in computational chemistry
particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear regression
Mulliken_population_analysis
Chemical compound
orbitals at boron and help maintain a short, linear B–B linkage. Quantitative bond indices such as the Wiberg bond index (a computed measure of bond order
Diboryne
Class of physical phenomena
molecular orbitals with exactly one electron in them. While paired electrons are required by the Pauli exclusion principle to have their intrinsic ('spin')
Magnetism
Production of light due to absorption of high-energy photons or particles
unchanged and three hybrid orbitals are produced by mixing the s, px and py orbitals. The orbitals that are symmetrical about the bonding axes and plane of the
Scintillation_(physics)
Class of organometallic complexes
their isolated form. These are donated to the metal center to form a dative bond in the final complex. When an NHC is bound to a metal center, its steric
Cyclic iron tetra N-heterocyclic carbenes
Cyclic_iron_tetra_N-heterocyclic_carbenes
Physical and chemical properties of pure water
the energy of the occupied molecular orbitals because the energy of the oxygen atom's nonbonding hybrid orbitals contributes completely to the energy
Properties_of_water
Concept in organic chemistry
parameter: the metal–ligand electronic parameter and the intrinsic strength of the metal–ligand bond". Dalton Transactions. 46: 8323–8343. doi:10.1039/C7DT00178A
Tolman_electronic_parameter
Hydrocarbon compound (HC≡CH)
valence bond theory, in each carbon atom the 2s orbital hybridizes with one 2p orbital thus forming an sp hybrid. The other two 2p orbitals remain unhybridized
Acetylene
molecules donate their lone pairs into the aluminylenes empty orbitals. Intrinsic Bond Orbital calculations showed a significant degree of pi-backbonding
Aluminylene
Two bonding and two anti-bonding orbitals result. Figure 3 is a graphical representation of the results. Filling the atomic and molecular orbitals in pyramidal
Pyramidal_carbocation
Chemical compound
sigma bonding orbital. The pi-backbonding interactions illustrated below occur between the t2g d-orbital set and the CO π* antibonding orbitals. The degenerate
Dimanganese_decacarbonyl
Natural satellites of the planet Saturn
Saturn. It shares the same orbit with Janus—the only known example of co-orbitals in the Solar System. In 1980, three additional Saturnian moons were discovered
Moons_of_Saturn
Sixth planet from the Sun
becomes more visible from Earth through each year to 2032. Saturn has an intrinsic magnetic field that has a simple, symmetric shape—a magnetic dipole. Its
Saturn
Force of attraction or repulsion between molecules and neighboring particles
development of IBSI (Intrinsic Bond Strength Index), relying on the IGM (Independent Gradient Model) methodology. Ionic bonding Salt bridges Coomber's
Intermolecular_force
Chemical element with atomic number 14 (Si)
as valence orbitals: hence, it can complete its octet and obtain the stable noble gas configuration of argon by forming sp3 hybrid orbitals, forming tetrahedral
Silicon
Ordered arrangement of atoms, ions, or molecules in a crystalline material
Pauling was therefore able to correlate the number of d-orbitals in bond formation with the bond length, as well as with many of the physical properties
Crystal_structure
Intentional introduction of impurities into an intrinsic semiconductor
production, doping is the intentional introduction of impurities into an intrinsic (undoped) semiconductor for the purpose of modulating its electrical,
Doping_(semiconductor)
Scientific theory
Linnett double-quartet theory (LDQ) is a method of describing the bonding in molecules which involves separating the electrons depending on their spin
Linnett_double-quartet_theory
Organic chemistry reaction
course of the reaction, a p orbital forms at the reaction center as the result of the transition from the molecular orbitals of the reactants to those of
SN2_reaction
Smallest unit of a chemical element
quantized) set of these orbitals exist around the nucleus, as other possible wave patterns rapidly decay into a more stable form. Orbitals can have one or more
Atom
Quantum mechanics principle
conductors and semiconductors, there are very large numbers of molecular orbitals which effectively form a continuous band structure of energy levels. In
Pauli_exclusion_principle
graphene hexagonal lattice, the overlap between the pz(π) orbitals and the s or the px and py orbitals is zero by symmetry. The pz electrons forming the π bands
Electronic properties of graphene
Electronic_properties_of_graphene
Organic polymers that conduct electricity
each other to a molecule wide delocalized set of orbitals. The electrons in these delocalized orbitals have high mobility when the material is "doped"
Conductive_polymer
Hexagonal lattice made of carbon atoms
materials and, in some cases, hybridization between the d-orbitals of the substrate atoms and π orbitals of graphene, which significantly alter the electronic
Graphene
Quantum number parameterizing spin and angular momentum
quantum number is a quantum number (designated s) that describes the intrinsic angular momentum (or spin angular momentum, or simply spin) of an electron
Spin_quantum_number
Emotion of longing for a person, object or outcome
be grouped into various types according to a few basic distinctions. Intrinsic desires concern what the subject wants for its own sake while instrumental
Desire
Location of a discrete degeneracy between two electronic states
points and can be connected to each other through the analogue of an intrinsic reaction coordinate in the seam. In benzene, for example, there is a recurrent
Conical_intersection
Electronic states at the surface of materials
topmost surface layer are missing their bonding partners on one side, their orbitals have less overlap with the orbitals of neighboring atoms. The splitting
Surface_states
Rapid climate fluctuation in the last glacial period
The comparable climate cyclicity during the Holocene is referred to as Bond events. Dansgaard–Oeschger refers to palaeoclimatologists Willi Dansgaard
Dansgaard–Oeschger_event
Exoplanet orbiting TrES-2, known for being the "Darkest Exoplanet"
is an extremely low geometric albedo measured in 2011, making it the intrinsically darkest known exoplanet. If the entire day–night contrast were due to
TrES-2b
Temperature above which magnetic properties change
structures of intrinsic magnetic moments that depend on temperature; the Curie temperature is the critical point at which a material's intrinsic magnetic moments
Curie_temperature
is some delocalization of electrons in the pi orbitals between the carbon atoms linked by the single bond. constitutional isomer See structural isomer
Glossary_of_chemistry_terms
Elementary particle with negative charge
between different orbitals by the emission or absorption of photons with an energy that matches the difference in potential between the orbitals. Other methods
Electron
Chemical compounds with at least one silicon atom
halogen atoms by pi backbonding from the filled pπ orbitals on the halogen atoms to the empty dπ orbitals on silicon: this is similar to the situation of
Silicon_compounds
Branch of photochemistry
reductants and oxidants) and where the electron transfer has a low intrinsic barrier. The intrinsic barrier of electron transfer derives from the Franck–Condon
Photoredox_catalysis
Concept on molecular modeling
quantum-mechanical calculation of electrostatic properties using localized bond orbitals with fast BPT formalism. Atomic charge fluctuation is possible in each
Force_field_(chemistry)
How the term nonmetal is used in many disciplines
Rather than single electrons, the filling involves quasiparticles called orbitals, which are the single-particle like solutions for a system with hundreds
Nonmetallic_material
Coupling between the magnetic and the electric properties of a material
through an electric field would become magnetized. The possibility of an intrinsic magnetoelectric effect in a (non-moving) material was conjectured by Pierre
Magnetoelectric_effect
Plutino
implied by its high intrinsic brightness. These characteristics of Ixion prompted follow-up observations in order to ascertain its orbit, which would in turn
28978_Ixion
Single-stage-to-orbit spaceplane
clears SABRE orbital engines". The Register. "Skylon Phase 3 Development: Q&A". Rocketeers.co.uk. 9 May 2011. Retrieved 3 December 2012. Bond 2011. "Reaction
Skylon_(spacecraft)
Crystalline structure of phosphorus
that are found in most materials. There are three electrons within the 3p orbitals of the phosphorus atom, thus, giving rise to sp3 hybridization of each
Phosphorene
Physical property of allowing light
visible (UV-Vis) portions of the spectrum depends on whether the electron orbitals are spaced (or "quantized") such that electrons can absorb a quantum of
Transparency_and_translucency
(n=4). It tails off onto the visible region and is responsible for the intrinsic blue color of water. This can be observed with a standard UV/vis spectrophotometer
Electromagnetic absorption by water
Electromagnetic_absorption_by_water
Dwarf planet in the Kuiper belt
Makemake is the third intrinsically brightest known trans-Neptunian object, after Eris and Pluto. Makemake owes its high intrinsic brightness to its large
Makemake
Class of materials
electrons may still locate in non- or weakly bonding metal orbitals or half-fill a main-group element's lone pair orbital, but are generally isolated within the
Molecule-based_magnets
Galaxy in the constellation Canes Venatici
skies, and with a moderate eyepiece through a 150 mm telescope, M51's intrinsic spiral structure can be detected. With larger (>300 mm) instruments under
Whirlpool_Galaxy
Variation in resonant frequency of identical atomic nuclei in a magnetic field
local magnetic fields induced by currents of electrons in the molecular orbitals (electrons have a magnetic moment themselves). The electron distribution
Chemical_shift
and boron nitride nanosheets. Graphene and boron nitride both contain intrinsic thermally conductive and electrically insulative properties. The combination
Graphene boron nitride nanohybrid materials
Graphene_boron_nitride_nanohybrid_materials
States of matter for water as a solid
as similar as ice XIh. Ice XI is ferroelectric, meaning that it has an intrinsic polarization. To qualify as a ferroelectric it must also exhibit polarization
Phases_of_ice
Type of graph in mathematics and physics
valued functions that describe the quantum mechanics of particles with an intrinsic angular momentum of one half such as the electron. The Dirichlet-to-Neumann
Quantum_graph
Polymerization process involving free radicals as repeating units
initiation works best on the carbon–carbon double bond of vinyl monomers and the carbon–oxygen double bond in aldehydes and ketones. Initiation has two steps
Radical_polymerization
Thin semiconductors
outer layers electronic states are from d-orbitals that have a strong spin–orbit coupling. This spin orbit coupling removes the spins degeneracy in both
Transition metal dichalcogenide monolayers
Transition_metal_dichalcogenide_monolayers
Category of chemical elements
metallic elements mimic boron (in having fewer electrons than orbitals available for bonding) has been a fruitful cohering concept in the development of
Nonmetal
Chemical reaction
likely attributed to lower electronegativity and greater expansion of d-orbitals, which promote decarboxylation of the substrate. One limitation of this
Decarboxylative cross-coupling
Decarboxylative_cross-coupling
New religious movement based on pre-Christian Slavic beliefs
patriarchy, solidarity and homogeneity, with the latter two seen as intrinsically related. Laruelle similarly found an emphasis on patriarchy, heterosexuality
Slavic_Native_Faith
Condensed matter system
graphene are the result of the delocalized electrons occupying these pz orbitals. The semimetallic state corresponds to a linear crossing of energy bands
Dirac_matter
Type of refractory ceramics
frontier electronic states are bonding and antibonding orbitals resulting from bonding between boron 2p orbitals and metal d orbitals; before group (IV), the
Ultra-high temperature ceramic
Ultra-high_temperature_ceramic
Type of natural semiconductor with thicknesses on the atomic scale
exhibit promising optoelectronic properties, they are often limited by intrinsic and extrinsic defects, such as sulfur vacancies and grain boundaries,
Two-dimensional_semiconductor
Uncontrolled fire in forests or open spaces
"Fire and alluvial chronology in Yellowstone National Park: Climatic and intrinsic controls on Holocene geomorphic processes". GSA Bulletin. 107 (10): 1211–1230
Wildfire
Brightest star in Earth's night sky
8.2 and 31.5 astronomical units as they orbit every 50 years. Sirius appears bright because of its intrinsic luminosity and its proximity to the Solar
Sirius
Kuiper belt object
radiation is emitted from Arrokoth's subsurface, which was predicted to be intrinsically warmer than the exterior surface. The mass and density of Arrokoth are
486958_Arrokoth
Second planet from the Sun
to the atmosphere against solar and cosmic radiation. The lack of an intrinsic magnetic field on Venus was surprising, given that it is similar to Earth
Venus
Galaxy that orbits a larger galaxy due to gravitational attraction
measuring the period of these stars, Hubble was able to estimate their intrinsic luminosity and upon combining this with their measured apparent magnitude
Satellite_galaxy
metal−organic frameworks are a class of metal–organic frameworks (MOF) with intrinsic ability of electronic conduction. Metal ions and organic linkers assemble
Conductive metal−organic frameworks
Conductive_metal−organic_frameworks
Most basic type of physical force
negatively charged orbital electrons and the positively charged atomic nuclei which holds atoms together, as well as chemical bonding and electromagnetic
Fundamental_interaction
Metric quantifying vegetation density
global environment monitoring index. Each of these attempted to include intrinsic correction(s) for one or more perturbing factors. A current alternative
Normalized difference vegetation index
Normalized_difference_vegetation_index
Type of adsorption process
surface using molecular orbital (MO) theory. A strong charge transfer caused by overlap of unoccupied and occupied orbitals weakens the molecular bonds
Dissociative_adsorption
Spectroscopic technique based on change of nuclear spin state
orbitals. If a nucleus in a specific chemical group is shielded to a higher degree by a higher electron density of its surrounding molecular orbitals
Nuclear_magnetic_resonance
Mental state of being in love
with focused attention (salience), for the purpose of courtship or pair bonding. The state of romantic love is considered to be a motivation or drive,
Romantic_love_(mental_state)
radial velocities of giant stars. XVII. Distinguishing planets from intrinsically induced radial velocity signals in evolved stars". Astronomy & Astrophysics
List_of_exoplanet_extremes
Nitride of aluminum
reflecting the material's wide band gap and strong chemical bonding. One of the most distinctive intrinsic properties of wurtzite AlN is its spontaneous polarization
Aluminium_nitride
results in a narrow ZPL in the Si-V center, which is mostly limited by its intrinsic lifetime. Bright photoluminescence, narrow optical lines, and ease of
Silicon-vacancy center in diamond
Silicon-vacancy_center_in_diamond
Exceptionally bright comets
visible to the naked eye but unspectacular. On the other hand, the intrinsically small and faint Comet Hyakutake (C/1996 B2) appeared very bright and
Great_comet
Evolution and neuroscience of romantic love
different sense, which refers to a brain system (or systems) related to pair bonding or mating with associated psychological properties. The evolutionary anthropologists
Biology_of_romantic_love
Chemical reaction
antarafacial [1,3]-shift of bond 1,2 to C-5, with retention at C-2, leading to the ar cyclopentene and the suprafacial [1,3]-shift of bond 1,2 to C-5, with inversion
Vinylcyclopropane rearrangement
Vinylcyclopropane_rearrangement
Class of chemical compounds
15N NMR spectroscopy. Ammonia is classified as an L ligand in the Covalent bond classification method. In the usual electron counting method, it is a two-electron
Metal_ammine_complex
Brightest star in the constellation Lyra
and one of the most luminous stars in the Sun's neighborhood, being intrinsically brighter than any star nearer to the Sun. It is the fifth-brightest
Vega
Characters in the science fiction epic
the Enterprise crew, Anya assumed the form of an older human woman; her intrinsic appearance is unknown. Apollo Michael Forest Who Mourns for Adonais? (TOS)
List of Star Trek characters (A–F)
List_of_Star_Trek_characters_(A–F)
Stellar classification
June 19, 2007. Pecaut, Mark J.; Mamajek, Eric E. (1 September 2013). "Intrinsic Colors, Temperatures, and Bolometric Corrections of Pre-main-sequence
A-type_main-sequence_star
molecular orbitals. 1929: Felix Bloch demonstrates Bloch's theorem. John Lennard-Jones introduces the linear combination of atomic orbitals (LCAO) approximation
Timeline of condensed matter physics
Timeline_of_condensed_matter_physics
American Princess". vox.com. Vox. Retrieved 13 June 2022. Ely Jr., James W.; Bond, Bradley G. (2014). The New Encyclopedia of Southern Culture. Vol. 10: Law
List_of_stock_characters
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INTRINSIC BOND-ORBITALS
INTRINSIC BOND-ORBITALS
INTRINSIC BOND-ORBITALS
INTRINSIC BOND-ORBITALS
INTRINSIC BOND-ORBITALS
INTRINSIC BOND-ORBITALS
INTRINSIC BOND-ORBITALS
INTRINSIC BOND-ORBITALS
INTRINSIC BOND-ORBITALS
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