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No abstract available
Original Title
Kolebatel'nye spektry i stroenie trifenilbora i trifenilamina
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For English translation see the journal J. Appl. Spectrosc.. Published in summary form only.
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Journal Article
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Zhurnal Prikladnoj Spektroskopii; v. 20(3); p. 534-535
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No abstract available
Original Title
O prirode ehlektronnykh perekhodov v aromaticheskikh soedineniyakh bora
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Published in summary form only; for English translation see the journal J. Appl. Spectrosc.
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Journal Article
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Zhurnal Prikladnoj Spektroskopii; v. 23(2); p. 347-348
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No abstract available
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Vliyanie tyazhelogo atoma v fosforestsentsii β-galogenproizvodnykh 9,10-antrakhinona
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For English translation see the journal Russ. J. Phys. Chem.
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Journal Article
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Zhurnal Fizicheskoj Khimii; v. 48(1); p. 9-11
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[en] The aim of this work is to establish the mechanisms of the elementary acts of photophysical and photochemical processes in an homologous series of phenylmethane molecules Ph/sub n/C-H/sub m-n/, where m = 4, n = 1,...,4, and pH is a phenyl radical. The molecules that form the homologous series belong to the same orbital class (in this case σπ) and the same spectral-luminescence systematization group (SLG). In the studied series of molecules, as a result of the change of the number of the (Ph) and (C-H) systems, an evolution of the orbital nature of the states occurs (in the given orbital class) on insignificant change of their relative position. As a result of this a considerable redistribution of the relaxation channels of the electron-excitation energy and the rate constants of the radiation and radiationless processes takes place. To establish the character of these changes they performed experimental and theoretical studies of the mentioned series of molecules
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Translated from Dokl. Akad. Nauk SSSR; 288: No. 1, 165-169(May 1986).
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Journal Article
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Translation
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[en] The luminescence-spectroscopic properties of the triphenylboron (TPB) molecule, which belongs to the σ π v/sub p/ class, have been studied experimentally and theoretically. The electronic structure of TPB in the ground and excited electronic states has been calculated in the framework of the CNDO/S-CI method. The electron density on the atoms, the first ionization potential, the dipole moment, the energies and matrices of the change in the electron density of the S/sub n/ and T/sub n/ states, the matrix elements of the spin-orbit coupling operator < S/sub i/ absolute value of H/sub so/ T/sub j//sup α/> and < S/sub o/ absolute value of H/sub so/ T/sub j//sup α/>, the intensities and directions of polarization of the S/sub n/ → S/sub o/ and T1 → S/sub o/ transitions, and the phosphorescence lifetime have been calculated. The experimental data are in qualitative agreement with the calculated data
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Translated from Teor. Eksp. Khim.; 21: No.4, 468-472(Jul-Aug 1985).
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AROMATICS, ATOMIC MODELS, BORON COMPLEXES, CONFIGURATION INTERACTION, COUPLING CONSTANTS, DIPOLE MOMENTS, ELECTRON DENSITY, ELECTRONIC STRUCTURE, EXCITED STATES, GROUND STATES, HAMILTONIANS, HYPERFINE STRUCTURE, IONIZATION POTENTIAL, LIFETIME, L-S COUPLING, LUMINESCENCE, MATRIX ELEMENTS, ORGANOMETALLIC COMPOUNDS, OSCILLATOR STRENGTHS, QUANTUM MECHANICS, SPIN ORIENTATION
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[en] The electronic structure of the triphenylgallium molecule in the ground and electronically excited states has been calculated in the framework of the CNDO/S-CI method in sp and spd bases. The electron density in the AO's and atoms, the first ionization potential the energies and matrices of the changes in the electron density of the S/sub n/ and T/sub n/ states, the matrix elements of the spin-orbit coupling operator < S/sub i//H/sub so//T/sub j//sup α/ > and < S/sub o//H/sub so//T/sub j//supα >, the intensities and directions of polarization of the S/sub n/ → S/sub o/ and T2 → T/sub n/ transitions, and the phosphorescence lifetimes have been calculated. The following spectroscopic parametrization has been proposed for the Ga atom in the sp and spd bases: 1/2(I/sub s/ + A/sub s/) = 10.075 eV, 1/2(I/sub p/ + A/sub p/) = 4.265 eV, 1/2(I/sub d/ + A/sub d/) = 0, α/sub Ga//sup sp/ = 5 eV, γ/sub Ga//sup d/ = 0, β/sub Ga//sup sp/ = -7 eV, β/sub Ga//sup spd/ = -10 eV, and zeta/sub s,p,d/ = 1.433. The influence of the d AO's on the shaping of the orbital nature of the S1 and T1 states has been analyzed
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Translated from Teor. Eksp. Khim.; 21: No.5, 584-590(Sep-Oct 1985).
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Journal Article
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AROMATICS, ATOMIC MODELS, CHARGE DISTRIBUTION, COMPUTERIZED SIMULATION, CONFIGURATION INTERACTION, ELECTRON DENSITY, ELECTRONIC STRUCTURE, ELECTROSTATICS, EXCITED STATES, GALLIUM COMPLEXES, GROUND STATES, L-S COUPLING, LUMINESCENCE, MATRIX ELEMENTS, MOLECULAR ORBITAL METHOD, MOLECULES, ORGANOMETALLIC COMPOUNDS, OSCILLATOR STRENGTHS, QUANTUM MECHANICS, RADIATIONLESS DECAY, SPIN ORIENTATION
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[en] Electron absorption and emission spectra have been obtained for ten aromatic derivatives of lithium, boron, aluminium and gallium in inert and electron-donor solvents at 295 and 77 deg K. The observed intensive long-wave bands, whose psrameters depend on a particular element, aromatic radical structure and solvent donor capacity, are associated with the electronic transitions in the aromatic system disturbed by an intra- and intermolecular charge transfer with participation of free p-orbitals of the element. A decrease in the total luminescent capacity of the examined molecules with the growth of atomic number of the element has been revealed, which can be accounted for by the heavy atom effect and a higher probability of various non-radiative processes, including molecular photodissociation along the C-M link
Original Title
Ehlektronnye spektry i struktura aromaticheskikh proizvodnykh litiya, bora, alyuminiya i galliya
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Source
For English translation see the journal Bull. Acad. Sci. USSR, Div. Chem. Sci.
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Journal Article
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Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (no.9); p. 1993-1998
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No abstract available
Original Title
Obmennye ehlektronnye imodejstviya i tunnel'nye dvizheniya yader v radikal'nykh parakh, soderzhashchikh metil'nye gruppy
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For English translation see the journal Dokl. Chem.
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Journal Article
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Doklady Akademii Nauk SSSR, Seriya Khimiya; v. 208(4); p. 895-897
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No abstract available
Original Title
Kolebatel'nye spektry i stroenie difenil'nykh proizvodnykh ehlementov 2A,2B,6B grupp
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13 refs.; for English translation see the journal Russ. J. Phys. Chem.
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Journal Article
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Zhurnal Fizicheskoj Khimii; v. 49(6); p. 1416-1419
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