Conjugation energy of some boron-containing systems

1962 ◽  
Vol 10 (12) ◽  
pp. 2112-2113
Author(s):  
D. A. Bochvar ◽  
I. V. Stankevich ◽  
A. L. Chistyakov
Keyword(s):  
Conjugation Energy

Synthesis and fundamental studies of a photoresponsive oligonucleotide-upconverting nanoparticle covalent conjugate

2021 ◽  
Author(s):  
Christopher Liczner ◽  
Gabrielle A. Mandl ◽  
Steven L. Maurizio ◽  
Kieran Duke ◽  
John A. Capobianco ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Conjugation Energy

A greener route to a photocleavable phosphoramidite was used to synthesize an alkyne-containing oligonucleotide and conjugated to an azide-modified upconverting nanoparticle. The conjugation, energy transfer, and photocleavage were evaluated.

Thermodynamic and quantum-chemical estimates of the conjugation energy in simple vinyl ethers

1981 ◽  
Vol 30 (4) ◽  
pp. 537-539
Author(s):  
B. A. Trofimov ◽  
N. A. Nedolya ◽  
N. D. Lebedev ◽  
V. L. Ryadnenko ◽  
T. N. Masalitinova ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Vinyl Ethers ◽  
Conjugation Energy

Conjugation Energy

1952 ◽  
Vol 5 (2) ◽  
pp. 339
Author(s):  
RD Brown
Keyword(s):  
Least Squares ◽  
Overlap Integral ◽  
Alternative Method ◽  
Conjugation Energy ◽  
The Relationship

The relationship between conjugation energies and self-atom-polarizabilities, previously derived from certain approximate theoretical relationships, is obtained in a more accurate form by an empirical least-squares calculation. An analogous relationship is also derived from calculating conjugation energies when the overlap integral is taken into account. A tabulation of all relevant polarizability data from the literature is presented, and a method of extending the data to larger molecules is described and exemplified. A possible alternative method of deriving conjugation energies is briefly discussed.

Calculation of the conjugation energy for the s-triphenylcyclopropenyl cation

1958 ◽  
Vol 7 (6) ◽  
pp. 775-775
Author(s):  
D. A. Bochvar ◽  
I. V. Stenkevich ◽  
A. L. Chistiakov
Keyword(s):  
Conjugation Energy

scholarly journals The electronic structure of conjugated systems V. The interaction of two conjugated systems

1948 ◽  
Vol 195 (1041) ◽  
pp. 188-197 ◽  
Keyword(s):  
Electronic Structure ◽  
The Self ◽  
Single Bond ◽  
Conjugated Systems ◽  
Conjugation Energy ◽  
Definition Of ◽  
Mobile Order

In this paper there is discussed the interaction of two conjugated systems across a conj ugated single bond. It is shown that the conjugation energy across the bond, and the mobile order of the bond, are both positive, and that both are closely related to the self-polarizabilities of the atoms forming the bond. This relation forms the basis for a definition of the conjugating power of a position as β times its self-polarizability. The conjugating power of various hydrocarbon residues is shown to increase in the order: phenyl, β-naphthyl, 2-butadienyl, α-naphthyl, vinyl, 1-butadienyl.

Étude thermodynamique des trois isomères du dihydroxybenzène

1991 ◽  
Vol 69 (3) ◽  
pp. 481-488 ◽  
Author(s):  
R. Sabbah ◽  
E. N. L. E. Buluku
Keyword(s):  
Thermal Analysis ◽  
Differential Thermal Analysis ◽  
Triple Point ◽  
Van Der Waals Interactions ◽  
Enthalpies Of Formation ◽  
Chemical Calculation ◽  
Conjugation Energy ◽  
Heat Capacity Measurements ◽  
Intramolecular Hydrogen ◽  
Enthalpies Of Sublimation

The present work is concerned with a thermodynamic study of the three isomers of dihydroxybenzene. By combustion calorimetry of small amounts of substance, sublimation calorimetry, differential thermal analysis, and heat capacity measurements, it was possible to determine the enthalpies of formation of 1,2-, 1,3-, and 1,4-dihydroxybenzene in the condensed and gaseous phases, their enthalpies of fusion and transition, and the temperature of their triple point and transition. The experimental results are used to discuss the relative stability and determine the conjugation energy of the three compounds. The values are in good agreement with the theoretical values obtained from a quantum chemical calculation. The enthalpies of atomization enabled us to determine an energy value for the intramolecular Cb—OH bond in dihydroxybenzenes and to correlate it with previous results obtained from a study of alkane-diols. The enthalpies of sublimation were discussed. An intramolecular hydrogen bond was displayed in the ortho isomer. Intermolecular hydrogen bonds associated with van der Waals interactions exist in dihydroxybenzenes. Their energy contributions were determined. Key words: thermodynamics, calorimetry, differential thermal analysis, 1,2-benzenediol or 1,2-dihydroxybenzene or catechol; 1,3-benzenediol or 1,3-dihydroxybenzeneorresorcinol; 1,4-benzenediol or 1,4-dihydroxybenzene or hydroquinone or quinol; enthalpies of combustion, of sublimation, of fusion, of transition, energy of conjugation, enthalpies of atomization, of inter- and intramolecular bonds; triple point and transition temperatures.

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