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Protonation, calculations

The wavelength of a proton, calculated in (a), is 4 orders of magnitude smaller than the radius of a typical atom. [Pg.68]

Here is yet another bizarre result of quantum mechanics for you to ponder. The lx wavefunction for a hydrogen atom is unequal to zero at the origin. This means that there is a small, but nonzero probability that the electron is inside the proton. Calculation of this probability leads to the so-called hyperfine splitting —the magnetic dipoles on the proton and electron interact. This splitting is experimentally measurable. Transitions between the hyperfine levels in the lx state of hydrogen are induced by radiation at 1420.406 MHz. Since this frequency is determined by... [Pg.147]

In Figure 1, the intercept on the horizontal axis falls at 0.19%. This represents the amount of protons (calculated as water) originally present in the as-received NTO. Thus, the standard to which 0.078% water was added actually contains 0.27% while the second standard actually contains 0.55%. [Pg.240]

It might seem that we have a problem, because there is no isolated NMR line in the spectrum that is solely characteristic of one or the other repeat unit. Fear not, this information can be obtained in an indirect manner. The relatively broad lines appearing between 6.2 and 7.2 ppm in spectrum (A) correspond to the aromatic protons that occur in both St and f-BSOS. So, if we measure this total area (which reflects the contributions from the 5 aromatic protons of the styrene repeat and the 4 aromatic protons of the r-BSOS repeat), subtract out the contribution from the f-BSOS repeat (i.e., 4 times the normalized area per proton calculated from Equation 7-37) and then divide by 5 (the number of aromatic protons in the styrene repeat), we will have the normalized area per proton corresponding to the St chemical repeat unit. In summary Equation 7-38) ... [Pg.200]

Fig. 37a,b. H MAS NMR spectra (a) of hydroxyl protons calculated for the following para- =3 kHz, and T, according to the values given on the left-hand side... [Pg.266]

An unknown contains citric acid, C6H8O7, a tribasic acid, and sodium sulfate, Na2S04. If 1.731 g of unknown requires 29.32 mL of 0.487 M NaOH for complete neutralization of all reactive protons, calculate the percent by mass of citric acid in the sample. Indicate clearly your calculations and reasoning. [Pg.342]

In Fig. 10, the fractions of crystalline PVA with respect to the total amotmt of PVA in the crystalline and swollen amorphous phases, obtained by X-ray powder diffraction analysis,/c(XR) [57], are reported as a function of the number of freeze-thaw cycles for the as-formed PVA hydrogels. They are compared with the fractions of crystalline PVA with respect to the total amount of PVA in hydrogels, as determined by DSC,/c(DSC) [42, 57], and the fractions of rigid protons calculated from free induction decay experiments, /c(NMR) [56, 57]. In all cases, the... [Pg.177]

Obtain the NMR spectrum of a mixture of toluene and hexane. Integrate the peak areas of the different parts of the spectrum. Erom the ratio of the aromatic protons to the total protons, calculate the percentage of toluene in the mixture. [Pg.226]

Figure 16 tc of dextran methine carbon in lyophilized formulation containing dextran, calculated from Txp, at 60 ( ), 75 (A), and 86%RH ( ). Line represents the Tci of dextran protons calculated from Tip at 60%RH. [Pg.222]

The 3rd proton calculations were performed with both the 1st and 2nd on their preferred... [Pg.238]

Fraction of azoxybenzene protonated, calculated using pAT =-5.15 (Buncel and Lawton, 1965). [Pg.88]

Calculated as atomic % of F-atoms on all atoms of the sample, excluding protons Calculated from GPC data Indicates DP of CP-block Indicates type of end-group... [Pg.204]

Table 9.4 Complete hyperfine tensors for 22 protons, calculated by fitting the experimental anisotropy in a least-squares method. The dij are diagonalized principal values of the fitted tensor, a is the isotropic coupling constant, Bjj the dipolar anisotropic tensor, Table 9.4 Complete hyperfine tensors for 22 protons, calculated by fitting the experimental anisotropy in a least-squares method. The dij are diagonalized principal values of the fitted tensor, a is the isotropic coupling constant, Bjj the dipolar anisotropic tensor, <P, 0, and ij/ are Euler angles of the hyperfine tensor axes relative to the fine structure axes [36].
Strong bases are those compounds that totally dissociate in water, yielding some cation and the hydroxide ion. It is the hydroxide ion that we normally refer to as the base, because it is what accepts the proton. Calculating the hydroxide ion concentration is really stredghtforward. Suppose that you have a 1.5 M (1.5 mol/L) NaOH solution. The sodium hydroxide, a salt, completely dissociates (breaks apart) into ions ... [Pg.149]

Determined by H NMR from integration ratio between CEVE protons (calculated from M pceve) and (CH3>2Si protons. [Pg.664]

An H2/Air fuel cell operates at 80°C and IZOkPa. Hydrogen is supplied in a dead-end mode. If the net electrochemical drag is 0.25 molecules of H2O per proton, calculate required relative humidity of hydrogen at the inlet so that there is neither water accumulation nor drying of the membrane on the hydrogen side of the fuel cell. Explain the physical meaning of your result. [Pg.143]


See other pages where Protonation, calculations is mentioned: [Pg.259]    [Pg.30]    [Pg.605]    [Pg.424]    [Pg.409]    [Pg.251]    [Pg.337]    [Pg.225]    [Pg.95]    [Pg.130]    [Pg.225]    [Pg.600]    [Pg.130]    [Pg.265]    [Pg.175]    [Pg.188]    [Pg.211]    [Pg.214]    [Pg.858]   
See also in sourсe #XX -- [ Pg.40 , Pg.60 , Pg.62 , Pg.66 ]




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Calculation of proton chemical

Calculation of proton chemical shifts

Carbonic acid, protonated calculated structures

Indazoles protonation, calculations

Indole protonation, calculations

Molecular dynamics protonated hydrate calculations

Molecular-orbital calculations protonation

Proton Insertion in Polycrystalline WO3 Studied with Electron Spectroscopy and Semi-empirical Calculations

Proton acidities calculation

Proton affinities calculations

Proton affinities quantum-chemical calculations

Proton transfer MO calculations

Protonated hydrates Monte Carlo calculations

Protonation pattern calculations, proteins

Pyrazoles protonation, calculated

Pyrroles protonation site, calculated

Surface protonation model calculations

Theoretical Calculations of Stability and Proton Transfer

Vinylamine protonated, calculated geometry

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