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We propose a definition for the dipole of an individual molecule in a molecular solid or fluid. This problem is currently dealt with by partitioning-according to some prescription-the continuous electron density of the condensed phase. Instead, here we foc ...
In this work, new spectroscopic techniques have been developed to measure electric dipole moments of highly excited rovibrational states of small polyatomic molecules in the gas phase. These techniques make use of lasers arid of microwave synthesizers. The ...
Molecular organization is at the center of all biological processes. The non-covalent interaction of two or more molecular subunits can lead to the formation of large, well-defined and functional molecular aggregates. In Nature this strategy of self-assemb ...
Mol.-dynamics simulations of structural relaxation in electronically excited NO-doped solid neon are presented. The NO impurity is excited to its lowest A (3ss) Rydberg state, inducing a rearrangement of the surrounding medium in the form of a bubble, due ...
Structural dynamics in solid hydrogens is impulsively triggered by femtosecond excitation of the lowest Rydberg state of the NO impurity. The resulting charge redistribution induces a local radial deformation of the medium ("bubble" formation) around the ...
A phosphino,oxazoline P,N-bidentate ligand, 4, contg. 3,5-di-tert-butylphenyl groups was prepd. In the Heck arylation of dihydrofuran, 4 affords higher ee's than either 2 or 3, the unsubstituted and m-dimethylphenyl analogs, resp. Several Pd(0) complexes o ...
The charge "belonging" to a given atom in a condensed system is not a measurable quantity, and can be defined only by means of some arbitrary model and/or theory: the static dipole (or multipole) associated with a given molecule in a molecular solid or liq ...
The ultrafast dynamics of electronic bubble formation upon excitation of the A(3ss) Rydberg state of NO trapped in solid H2 and D2 was studied by femtosecond pump-probe spectroscopy. The evolution of the spherical bubble is followed in real time by a probe ...
New exptl. methods are presented that allow one to measure cross-correlation between the fluctuations of dipolar interactions and chem. shift anisotropy (CSA) in scalar coupled systems with two and three spins I = 1/2 in isotropic soln. The methods involve ...
Several oscillations are obsd. in the rotational state population of I2 B3P(Ou+) produced in the photodissocn. (I2)2 + hn -> I2(Bu',J') + I2(X). The initial excitation is above the dissocn. limit of the I2 B state. These oscillations are pronounced on some ...