chemical hardness (), absolute electronegativity (), and electrophilicity () have importantapplications in inorganic chemistry. these concepts are defined quantitatively as � � �� � ����,� � �� � ����, � � ������where i is the ionization energy and a is the electron affinity. in thisstudy, graphical method was used to see the relation of electron configuration with chemicalhardness, absolute...

A semiempirical model of single differential cross sections (SDCS) for ionization of water vapor by fast electrons and bare ions is presented. At low secondary-electron energy, the model is based on an asymptotic expansion of the first Born approximation with coefficients, that are independent of projectile properties, evaluated from experimental photoabsorption and protonimpact ionization data...

The structures and stability of 531 novel boron nitride substituted isomers of 12-crown-4 etherverified theoretically. For a collection of 23 selected BN isomers, structural geometry, vibrationalstability, energy gaps, natural bond population analysis, and nonlinear optical responses investigatedtheoretically. The changes of standard enthalpies for ionization reactions and electron affinityreac...

We have measured the double-to-single photoionization ratio of atomic lithium and beryllium using the ion time-of-flight method. The photon beam of the PGM undulator beam line ionizes the vaporized target atoms. The ions created are extracted by a pulsed electric field across the interaction region and are detected by a Z-stack of micro-channel plates [1]. In the figure shown above, we compare ...

The ionization energy of gas-phase deoxyribose was determined using tunable vacuum ultraviolet synchrotron radiation coupled to an effusive thermal source. Adiabatic and vertical ionization energies of the ground and first four excited states of α-pyranose, the structure that dominates in the gas phase, were calculated using high-level electronic structure methods. An appearance energy of 9.1(±...

Time-dependent close-coupling and time-independent distorted-wave methods are used to calculate the electron-impact double-ionization cross section for the 1s22s2 ground configuration of the B+ atomic ion. The direct double-ionization cross section is calculated using the non-perturbative close-coupling method between the direct double-ionization threshold of 63.1 eV and the 1s ionization thres...

The adiabatic ionization energy [in units of hc, E(i)=124 568.485 81(36) cm(-1)] and the dissociation energy [D(0)=36 405.783 66(36) cm(-1)] of HD have been determined using a hybrid experimental-theoretical method. Experimentally, the wave numbers of the EF(v=0,N=0)→np[X(+)(v(+)=0 and 1, N(+)=0)] and EF(v=0,N=1)→np[X(+)(v(+)=0,N(+)=1)] transitions to singlet Rydberg states were measured by las...

We demonstrate controllable generation of a high-energy supercontinuum pulse of 1.8 mJ through femtosecond filamentation in prealigned diatomic molecules in air. For high-energy femtosecond laser pulses of linear polarization, the focusing condition is loosened by the cross-defocusing effect from the perpendicularly orientated molecules, which promotes the high-energy supercontinuum generation ...

A method is described for investigating the ionization produced in helium by collisions between quasi-stationary atoms—that is, atoms possessing only thermal velocities—and a beam of neutral helium atoms with kinetic energy less than 100 eV. Ionization is shown to begin when the kinetic energy of the bombarding atoms is twice as great as the minimum kinetic energy which electrons must possess i...

A set of hydrodynamic equations modeling strong ionization in semiconductors is formally derived from a kinetic framework. To that purpose, a system of Boltzmann transport equations governing the distribution functions of conduction electrons and holes is considered. The charge carriers obey a degenerate gas statistics and their kinetic energy relations are arbitrary. The umklapp collisions are...