The rotational spectra of four isotopologues of the adduct C2F3Cl-NH3 show that NH3 is bound to the partner molecule through a (N)lone-pair···π interaction. Ammonia is located in proximity to the C2 atom (the one linked to two fluorine atoms), with the C2···N distance = 2.987(2) Å. The nuclear hyperfine structure due to the quadrupole coupling effects of (35)Cl/(37)Cl and (14)N nuclei has been ...

We present electrically detected electron nuclear double resonance measurements of the nuclear spins of ionized and neutral arsenic donors in strained silicon. In addition to a reduction of the hyperfine coupling, we find significant quadrupole interactions of the nuclear spin of the neutral donors of the order of 10 kHz. By comparing these to the quadrupole shifts due to crystal fields measure...

The electronic structures and the electrostatic potential of some amino derivatives of adamantane have been studied using the density functional theory. The partial atomic charges and nuclear quadrupole coupling constants (NQCC) of 14N nucleus of the considered molecules have been reported. The partial atomic charges are calculated with two methods for 14N nucleus: Mulliken charges and natural ...

The electronic and structural properties of pristine and carbon doped (C-doped) boron nitride nano-ribbons(BNNRs) have been studied employing density functional theory (DFT) calculations. Total energies, gapenergies, dipole moments, and quadrupole coupling constants (qcc) have been calculated in the optimizedstructures of the investigated BNNRs. The results indicated that the stability and gap ...

Multinuclear solid-state nuclear magnetic resonance studies (185/187Re, 55Mn, 75As, and 1H NMR) were undertaken on a series of polycrystalline inorganic salts incorporating diamagnetic XO4 groups, X being a half-integer quadrupolar nucleus. Exploiting data acquisition protocols that were recently developed for observing undistorted half-integer quadrupole central transitions, some of the larges...

We have studied the core-polarization effect on the IsOd-she11 single-particle electromagnetic quadrupole transitions due to coupling with the quadrupole giant resonances. The self-consistent Hartree-Fock + RPA method is applied for the calculations of the single-particle wave functions and the response functions of the giant resonances. The particle-vibration-coupling model is used to calculat...

The molecular beam electric resonance technique has been used to examine the hyperfine spectrum of CsF to determine the nuclear quadrupole interaction of the cesium nucleus. A total of 95 transitions in vibrational states v5025 and rotational states J5128 have been included in a fit to determine the cesium nuclear quadrupole and spin–rotation interactions, the fluorine spin–rotation interaction...

Temperature dependences of 35C1 and 2H quadrupole coupling constants and 35C1 NM R spin-lat­ tice relaxation times in polycrystalline samples were measured in the rotator phase of the butylam­ monium chlorides C4H 9N H 3C1 and C4H 9N D 3C1, obtainable above the phase transition tempera­ ture of 241 K. A rapid decrease of the quadrupole coupling constants of both nuclei upon heating is attribute...

An essential condition for the round beam mode operation at the VEPP-2000 storage ring is the zero betatron coupling in the arc between two Interaction Points. To comply with this requirement the closed orbit should be corrected and the proper skew quadrupole correction system must exist. This work presents the development of the dipole and skew quadrupole correction systems for VEPP-2000. The ...

Time-domain zero-field NQR methods are used to determine quadrupole coupling constants and asymmetry parameters for a variety of polycrystalhne solids. Results for aliphatic and aromatic groups are reported. Several cases are presented in which sites with small differences in quadrupole coupling constants are resolved, and very smah (CO. 1) asymmetry parameters are measured. Structure in the ze...