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Electronic molecules

For bulk structural detemiination (see chapter B 1.9). the main teclmique used has been x-ray diffraction (XRD). Several other teclmiques are also available for more specialized applications, including electron diffraction (ED) for thin film structures and gas-phase molecules neutron diffraction (ND) and nuclear magnetic resonance (NMR) for magnetic studies (see chapter B1.12 and chapter B1.13) x-ray absorption fine structure (XAFS) for local structures in small or unstable samples and other spectroscopies to examine local structures in molecules. Electron microscopy also plays an important role, primarily tlirough unaging (see chapter B1.17). [Pg.1751]

In unsaturated molecules electronic effects can be transmitted by mesomerism as well as by inductive effects. As with the latter, the mesomeric properties of a group are described by reference to hydrogen. Groups which release electrons to the unsaturated residue of the molecule are said to exert a +Af effect, whereas groups which attract electrons are said to exert a —Af effect. In aromatic structures the important feature of an M-substituent is that it influences the 0- and p-positions selectively. [Pg.127]

Fig. 1. Schematic energy-level diagram for a dye molecule. Electronic states Sq = ground singlet state = first excited singlet state S2 = second excited singlet state Tj = first excited triplet state T2 = second excited triplet state EVS = excited vibrational states. Transitions A = absorption excited states ... Fig. 1. Schematic energy-level diagram for a dye molecule. Electronic states Sq = ground singlet state = first excited singlet state S2 = second excited singlet state Tj = first excited triplet state T2 = second excited triplet state EVS = excited vibrational states. Transitions A = absorption excited states ...
Charge-Transfer Compounds. Similat to iodine and chlorine, bromine can form charge-transfer complexes with organic molecules that can serve as Lewis bases. The frequency of the iatense uv charge-transfer adsorption band is dependent on the ionization potential of the donor solvent molecule. Electronic charge can be transferred from a TT-electron system as ia the case of aromatic compounds or from lone-pairs of electrons as ia ethers and amines. [Pg.284]

Oxide-supported metals constitute one of the most important classes of heterogeneous catalysts, and for this reason they have been investigated by many techniques adsorption isotherms, IR of chemisorbed molecules, electron microscopy, EXAFS, etc. Flowever, the fact that they have been studied by so many methods proves that no one technique is totally satisfactory. [Pg.12]

Lewis. G. N. 1. 248. 264, 265 line integrals 605-8 linear molecules electronic energy levels 506 fundamental frequencies 645 inertia, moments of 643 vibrational energy levels 504 Linhart. G.A. 481-3 liquid crystals 4... [Pg.659]

Mixed valence molecules electronic delocalisation and stabilisation. D. E. Richardson and H, Taube, Coord. Chem. Rev., 1984, 60,107 (40). [Pg.67]

According to the theory of cyclic conjugation, the Hueckel rule is applicable only to a continuous cyclic conjugation, but not to a discontinuous one (Schemes 14 and 15). In the discontinuously conjugated molecules, electron donors and acceptors are alternately disposed along the cyclic chain [25].The thermodynamic stability depends neither on the number of n electrons nor the orbital phase properties, but on the number of neighboring donor-acceptor pairs. Chemical consequences of the continuity-discontinuity of cyclic conjugation are reviewed briefly here. [Pg.113]

Molecular properties and reactions are controlled by electrons in the molecules. Electrons had been thonght to be particles. Quantum mechanics showed that electrons have properties not only as particles but also as waves. A chemical theory is required to think abont the wave properties of electrons in molecules. These properties are well represented by orbitals, which contain the amplitude and phase characteristics of waves. This volume is a result of our attempt to establish a theory of chemistry in terms of orbitals — A Chemical Orbital Theory. [Pg.330]

Clearly the explanation of the chemical bond given by Kossel cannot apply to homonuclear molecules such as CI2. Almost simultaneously with the publication of Kossel s theory, Lewis published a theory that could account for such molecules. Like Kossel, Lewis was impressed with the lack of reactivity of the noble gases. But he was also impressed by the observation that the vast majority of molecules have an even number of electrons, which led him to suggest that in molecules, electrons are usually present in pairs. In particular, he proposed that in a molecule such as CI2 the two atoms are held together by sharing a pair of electrons because in this way each atom can obtain a noble gas electron arrangement, as in the following examples ... [Pg.10]

Reference has already been made to electron-donating and electron-withdrawing groups, their effect being to render a site in a molecule electron-rich or electron-deficient, respectively. This will clearly influence the type of reagent with which the compound will most readily react. An electron-rich species such as phenoxide anion (36)... [Pg.28]

Energy is transferred from molecules electronically excited in a chemical reaction to other molecules which emit the accepted excitation energy in the form of light alternatively the accepting molecules can undergo photochemical transformations. First examples of this photochemistry without light were described by E. H. White and coworkers 182>. Thus the trans-stilbene hydrazide 127, on oxidation, yielded small amounts of the cis- 128 beside the trans-stilbene dicarboxylate in a luminol-type reaction. [Pg.129]

Zhang JD, Kuznetsov AM, Medvedev IG, Chi Q, Albrecht T, Jensen PS, Ulstrup J (2008) Single-molecule electron transfer in electrochemical environments. Chem Rev 108 2737-2791... [Pg.112]

Keywords Intramolecular kirchhoff laws Molecular electronics Molecular logic gates Single molecule electronic circuits Quantum hamiltonian computing... [Pg.218]


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See also in sourсe #XX -- [ Pg.26 ]




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A Bucket Brigade of Molecules Carries Electrons from the TCA Cycle to

Acceptors molecules electron affinity

Applications, molecular electronics molecule

Aromatic molecules, B term derived from -electron perimeter

Beryllium electron-deficient molecules

Beryllium molecule electron configuration

Bonded and nonbonded electron lone pairs for a silicate molecule

Boron electron-deficient molecules

Conjugated molecules, electronic structure

Contents 1-9 Electronic Transitions in Diatomic Molecules

Crystal molecule, electron correlation

Diatomic molecule, orbitals electron configuration

Diatomic molecules electron affinity

Diatomic molecules electron configurations

Diatomic molecules electron density

Diatomic molecules electronic band shapes

Diatomic molecules electronic partition functions

Diatomic molecules electronic spectra

Diatomic molecules electronic spectroscopy

Diatomic molecules electronic states

Diatomic molecules electronic structure

Diatomic molecules ground state electronic configurations

Diatomic molecules, correlation diagrams electronic states

Dissociative electronic states molecules

Dye molecules, zeolite L channels electronic excitation energy transfer

ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES

Electron Affinities and Periodic Trends of Homonuclear Diatomic Molecules

Electron Affinities of Biological Molecules from Reduction Potentials

Electron Correlations in Molecules and Crystals

Electron Density Description of Atoms and Molecules

Electron Density Integrals and Atoms-in-Molecules Methods

Electron Density in a Molecule

Electron Dot Structures for Molecules

Electron Energy Transfer between Organic Molecules in Solution (Wilkinson)

Electron Self-Exchanges of Organic Molecules

Electron Transfer Along Bridging Molecules, Molecular Wires and Semiconductor Particles Embedded in Membranes

Electron Transfer Mediated by Solvent Molecules

Electron Transfer Processes between Excited Molecules and Semiconductor Electrodes

Electron acceptor molecules, columnar

Electron acceptor molecules, columnar nematics

Electron affinities of molecules

Electron affinities, of elements, molecules

Electron affinity, of molecules and

Electron affinity, of molecules and radicals

Electron attachment to van der Waal molecules

Electron behavior, molecule ground

Electron configuration molecules

Electron configuration of molecules

Electron configurations of diatomic molecules

Electron correlation effect molecules

Electron correlation in molecules

Electron correlation in small molecules

Electron deficient molecules Diborane

Electron delocalization in molecules

Electron density distribution in molecules

Electron density in molecules

Electron distribution of molecules

Electron distribution within a molecule

Electron donor molecule

Electron energy levels in molecules

Electron energy loss spectroscopy molecules

Electron excitation spectra of diatomic molecules

Electron in molecules

Electron ionization labeled molecules

Electron levels, free molecules/solids

Electron locahzation function molecules

Electron mobilities small molecules

Electron molecule collisions

Electron molecule placement

Electron molecules

Electron molecules deficient

Electron single-molecule

Electron to molecules

Electron transfer from redox sites of proteins to excited simple molecules

Electron transfer single molecule

Electron tunneling between molecules attached to proteins

Electron tunneling in reactions of excited organic molecules

Electron-Molecule Reactions The Thermalisation Problem

Electron-deficient atoms/molecules

Electron-excited state of atoms and molecules

Electron-impact rovibrational excitation of molecules

Electron-molecule collision processes

Electron-molecule collisions correlation

Electron-molecule scattering

Electron-molecule scattering computational approaches

Electron-molecule scattering resonances

Electron-rich molecule

Electron/molecule reactions

Electronegativity The tendency of an atom in a molecule to attract shared electrons

Electronic Calculations on Large Molecules

Electronic Energy Transfer between Organic Molecules in Solution (Wilkinson)

Electronic Excitation in Molecules

Electronic Motion in the Mean Field Atoms and Molecules

Electronic Properties of Drug Molecules

Electronic Spectra of Large Molecules

Electronic Spectra of Organic Molecules

Electronic Spectroscopy of High Temperature Open-Shell Polyatomic Molecules

Electronic States of Polyatomic Molecules

Electronic States of the Noble-gas Halide Molecules

Electronic Structure of Atoms and Molecules

Electronic Structure of Conjugated Molecules

Electronic Structure of Organic Molecules

Electronic Structure of Organic Semiconductors Small Molecules

Electronic Structure of Small Molecules

Electronic Terms of Diatomic Molecules

Electronic Terms of Polyatomic Molecules

Electronic Transitions in Diatomic Molecules

Electronic Transitions in Polyatomic Molecules

Electronic calculations for molecules

Electronic charge distribution molecules

Electronic configurations of some molecules

Electronic energy levels of molecules

Electronic energy, of molecule

Electronic evolution, from single molecule

Electronic model molecules

Electronic of molecules

Electronic potential energy, total molecule

Electronic properties of molecules

Electronic relaxation of excited molecules

Electronic spectra of diatomic molecules

Electronic spectra of polyatomic molecules

Electronic spectroscopy of diatomic molecules

Electronic spectroscopy of molecules

Electronic spectroscopy of polyatomic molecules

Electronic spectroscopy organic molecules

Electronic spectroscopy polyatomic molecules

Electronic states 17, conjugated molecules

Electronic states of diatomic molecules

Electronic states of molecules

Electronic states ozone molecule

Electronic states polyatomic molecules

Electronic structure of complex molecules

Electronic structures of molecules

Electronic transitions of molecules

Electronic transitions, forbidden molecules

Electronic transitions, in molecules

Electronic wave function for molecule

Electronic wave function for the H2 molecule

Electronic wave functions of homonuclear diatomic molecules

Electronically Unsaturated Molecules

Electronically excited molecule

Electronically excited molecule energy level diagrams

Electronically excited molecule possible fates

Electronically excited molecule primary processes

Electronically excited molecules geometry

Electronically excited molecules photophysical processes

Electronically excited molecules physical properties

Electronically excited molecules potential energy diagram

Electronically excited molecules rotational

Electronically excited molecules, structure

Electronically excited states of organic molecules, acid-base properties

Electronics with molecules

Electronics, molecule-based

Electrons in Conjugated Molecules

Electrons related molecules

Energy Exchange with Electronically Excited Molecules

Evolution of Electronic Structure from Single Molecule to Molecular Solid

Excited electron-donor molecule

Excited molecules, structure of electronically

Free-electron model aromatic molecules

Gaussian basis functions many-electron molecules

Ground electronic surface, diatomic molecule

Guest molecule electron donor/acceptor interaction

H. Stoll, Electronic structure calculations for molecules containing lanthanide atoms

Heteronuclear diatomic molecules, electron

Heteronuclear diatomic molecules, electron distribution

Homonuclear diatomic molecules electron configurations

Homonuclear diatomic molecules electronic states

Homonuclear diatomic molecules electronic wave functions

Homonuclear diatomic molecules ground state electronic configurations

Homonuclear diatomic molecules, electron

Homonuclear diatomic molecules, electron dissociation energy

Homonuclear diatomic molecules, electron distribution

Homonuclear molecules, permutational electronic wave function

Hydrogen molecule electron affinity

Hydrogen molecule electron cloud

Hydrogen molecule electron density

Hydrogen molecule electron distribution

Hydrogen molecule formal electronic arrangements

INDEX Electron-deficient molecules

Interaction neutral molecule-electron

Lewis structure electron-deficient molecules

Lithium molecule, electron configuration

Localized Electron Model for Molecules

Localized electron model ammonia molecule

Modelling Molecules Electronic States

Models many-electron molecules

Models of Electron Density in Molecules

Molecular beam magnetic resonance of electronically excited molecules

Molecular shape electron-deficient molecules

Molecular shape odd-electron molecules

Molecule , anion states resonant electron scattering

Molecule Representation of Structures Based on Electron Diffraction

Molecule electron density

Molecule electron-dot structures

Molecule electron-vibrational interaction

Molecule lone-pair electrons

Molecules Huckel electronic energy

Molecules and sharing electrons

Molecules electron affinities

Molecules electron density around

Molecules electron-pair geometry

Molecules electronic configuration

Molecules electronic partition functions

Molecules electronic potential energy

Molecules electronic states

Molecules electronic structure, application

Molecules many-electron

Molecules many-electron atom

Molecules many-electron, application

Molecules small, electron correlation

Molecules total electronic energy

Molecules two-electron

Molecules, electron attachment

Molecules, electron attachment strained

Molecules, electron diffraction

Molecules, electronic structures

Molecules, electronic transitions

Molecules, small electron-correlated calculations

Nitrogen molecule electron configuration

Nitrogen molecule electron distribution

Nitrogen molecule, electronic Structure

Nonlinear molecules electronic wave function

Odd electron molecules

One-Electron Molecules and Orbitals

Organic molecules electron-correlated calculations

Organometallic molecules, electronic

Organometallic molecules, electronic structure

Other Molecules Containing the Three-Electron Bond

Oxygen atom, electron affinity molecule

Oxygen molecule electron configuration

Oxygen molecule, electronic configuration

Particles molecules, electrons

Phosphorescence in Aromatic Molecules with Nonbonding Electrons

Photoemission arising from electron transfer within a molecule

Photoinduced Electron Tunneling in Bridge Molecules

Photoinduced Electron Tunneling in Protein Molecules

Plasma electron-molecule collisions

Polar molecules electron distribution

Polyatomic molecules electronic

Polyatomic molecules electronic continua

Polyatomic molecules electronic spectra

Polyatomic molecules electronic structure

Polyatomic molecules, resonant electron scattering

Polymer molecule, electronic states

Polymer molecule, electronic states excitation

Potential acting on an electron in a molecule

Production of Excited Molecules by Electron Transfer

Proton Transfer in Electronically Excited Molecules (Klopffer)

Radiation and electron decomposition of molecules

Reduced-Density-Matrix Mechanics . With Application to Many-Electron Atoms and Molecules

Relaxation of Electronically Excited Atoms and Molecules

Resonance theory, electronic structure molecules

Rotation-Vibration-Electronic Spectra of Diatomic Molecules

Scattering theory electron-molecule

Shape resonances electron-molecule scattering

Single molecule electronic circuits

Single-molecule methods electron microscopy

Slow electrons interaction with molecules

Small molecule complexes electron pairs

Small organic molecules, field-electron

Small-Molecule Intramolecular Electron-Transfer Reactions

Spectroscopic Techniques for Measuring Collision-Induced Transitions in the Electronic Ground State of Molecules

Stationary-state scattering theory for electrons by molecules

Strained molecules, electron

TEMPO molecules, electron paramagnetic

The Electron Distribution in Molecules

The Electronic Spectra of Conjugated Molecules

The Electronic States of Diatomic Molecules

The Electronic Structure of Polyatomic Molecules

The Shapes of Molecules Valence Shell Electron-Pair Repulsion Theory

The first electron deficient molecule, diborane

Transformation of the electronic coordinates to molecule-fixed axes

Triatomic molecules valence electrons

Triplet states electronic, isoelectronic molecules

Triplet-Energy (or Electron) Transfer between Molecules

Tunneling in Electron Transfer Reactions of Excited Molecules

Tunneling reactions of biphenyl anion radical with electron acceptor organic molecules

Types of electronic transitions in polyatomic molecules

Unimolecular electronic molecule/metal

Unpaired electron spins molecules

VSEPR (valence shell electron molecules containing

Valence electrons in molecules

Valence electrons molecules with lone pairs

Valence-shell electron-pair repulsion molecules with multiple central atoms

Vibrationally mediated photodissociation of molecules via excited electronic states

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