AT doublet

In the experiment, we measured photoelectron spectra from strong-field excitation and simultaneous two-photon ionization of K atoms with BWL (unmodulated) IR pump pulses, as a function of the pulse energy W [68]. The results for energies ranging from W = 0.35 to 2 pj are shown in logarithmic representation in Figure 6.13. All photoelectron spectra exhibit the AT doublet as a signature of the... 

It is important to evaluate the surface distortion associated with the assymetric field at the surface, a difficult task often simplified by assuming that distortion is limited to the direction normal to the plane [64, 6S]. Benson and co-workers [6S] calculated displacements for the first five planes in the (100) face of sodium chloride and found the distortion correction to of about 100 ergs/cm or about half of itself The displacements show a tendency toward ion pair formation, suggesting that lateral displacements to produce ion doublets should be considered [66] however, other calculations yielded much smaller displacements [67]. 

Fig. XVin-6. Curve-fitted Mo XPS 3d spectra of a 5 wt% Mo/Ti02 catalyst (a) in the oxidic +6 valence state (b) after reduction at 304°C. Doublets A, B, and C refer to Mo oxidation states +6, +5, and +4, respectively [37]. (Reprinted with permission from American Chemical Society copyright 1974.)...

To nnderstand the internal molecnlar motions, we have placed great store in classical mechanics to obtain a picture of the dynamics of the molecnle and to predict associated patterns that can be observed in quantum spectra. Of course, the classical picture is at best an imprecise image, becanse the molecnlar dynamics are intrinsically quantum mechanical. Nonetheless, the classical metaphor mnst surely possess a large kernel of truth. The classical stnichire brought out by the bifiircation analysis has accounted for real patterns seen in wavefimctions and also for patterns observed in spectra, snch as the existence of local mode doublets, and the... 

The next two temis (Lorentzians) arise from the mechanical part of the density fluctuations, the pressure fluctuations at constant entropy. These are the adiabatic sound modes (l/y)exp[-FA t ]cos[co(A) t ] with (D(k) = ck, and lead to the two spectral lines (Lorentzians) which are shifted in frequency by -ck (Stokes line) and +ck (anti-Stokes line). These are known as the Brillouin-Mandehtarn, doublet. The half-width at... 

These are the same states as in Figure Bl.l 1.8, but attention is now drawn to the populations of the four spin states, each reduced by subtracting the 25% population that would exist at very low field, or alternatively at infinite temperature. The figures above each level are these relative differences, in convenient units. The intensity of any one transition, i.e. of the relevant peak in the doublet, is proportional to the difference of these differences, and is therefore proportionally relative to unity for any transition at Boltzmaim equilibrium, and 4 for any transition. 

The cross-correlation effects between the DD and CSA interactions also influence the transverse relaxation and lead to the phenomenon known as differential line broadening in a doublet [40], cf Figure Bl.13.8. There is a recent experiment, designed for protein studies, that I wish to mention at tire end of this section. It has been proposed by Pervushin etal [4T], is called TROSY (transverse relaxation optimized spectroscopy) and... 

I h e n otation h ere rn ean s th at electron 1 occupies a spatial orbital tpi with spin up (no bar on top ] electron 2 occupies spatial orbital tPi with spin down (a baron top), and so on. An RIIF description of the doublet S=l/2 slate obiamed by adding an electron to would be... 

The keyword is in the route section, line 1 of the input file. Lines 2, 3, and 4 are blank, comment, blank, respectively. Line 5 designates a charge of 1 and a spin multiplicity of 2 (a doublet). Line 6 specifies one atom as hydrogen, and line 7 specifies the second atom as hydrogen, attached to atom 1 at a distance of 1.32 A(2.49 bohr). Among several G2 energies printed out in about the last 25 lines of output are... 

Band 5, 6-25y. (1601 cm. i). Aromatic (phenyl) ring absorption. The weak shoulder at 6-33p. (1580 cm. i) may be noted. When the aromatic ring is conjugated, as in the present example, the aromatic (phenyl) band is often split into a doublet and is usually more pronounced (Table III). 

The NMR spectrum of isopropyl chloride (Figure 13 17) illustrates the appearance of an isopropyl group The signal for the six equivalent methyl protons at 8 1 5 is split into a doublet by the proton of the H—C—Cl unit In turn the H—C—Cl proton signal at 8 4 2 IS split into a septet by the six methyl protons A doublet-septet pattern is char acteristic of an isopropyl group... 

IS the only phosphorus isotope present at natural abundance and has a nuclear spin of The H NMR spectrum of tnmethyl phosphite (CH30)3P exhibits a doublet for the methyl protons with a splitting of 12 Hz... 

Treatment of 2 butanone (1 mole) with Br2 (2 moles) in aqueous HBr gave C4HgBr20 The H NMR spectrum of the product was charactenzed by signals at 8 1 9 (doublet three protons) 4 6 (singlet two protons) and 5 2 (quartet one proton) Identify this compound... 

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