THE ROLE OF SYMMETRY IN COLLISIONS OF N2 WITH N2+

被引：13

作者：

SOHLBERG, K ^{[1
]}

FUTRELL, J ^{[1
]}

SZALEWICZ, K ^{[1
]}

机构：

[1] UNIV DELAWARE, DEPT CHEM & BIOCHEM, NEWARK, DE 19716 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1991年 / 94卷 / 10期

关键词：

D O I：

10.1063/1.460278

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Classical trajectory methods have been used to explore the excitation of vibrations in gas-phase collisions of the nitrogen molecular ion with its parent molecule. The near symmetry of the reactants is shown to result in a high probability that the two molecules are excited by an equal amount of energy. This provides a possible explanation of the molecular beam measurements that show that the total number of vibrational energy quanta excited in the collision is, with a high probability, even.

引用

页码：6500 / 6507

页数：8

共 49 条

[1] CHARGE TRANSFER AND VIBRATIONAL EXCITATIONS IN H+/2 -H2 COLLISIONS [J].

BATES, DR ;

REID, RHG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 310 (1500) :1-&

[2] QUANTUM-MECHANICAL CALCULATIONS OF SYMMETRIC MOLECULAR CHARGE-EXCHANGE AND VIBRATIONAL EXCITATIONS IN O-2(+)+O-2 COLLISIONS [J].

BECKER, CH .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :5928-5935

[3] PHOTODISSOCIATION OF (CO)2+ - THEORETICAL-STUDIES OF GROUND 2BU AND EXCITED 2BG POTENTIAL-ENERGY SURFACES [J].

BLAIR, JT ;

WEISSHAAR, JC ;

CARPENTER, JE ;

WEINHOLD, F .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (01) :392-410

[4] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].

BOYS, SF ;

BERNARDI, F .

MOLECULAR PHYSICS, 1970, 19 (04) :553-&

[5] REACTIVE AND INELASTIC-SCATTERING OF H-2+D-2 USING A LONDON-TYPE POTENTIAL-ENERGY SURFACE [J].

BROWN, NJ ;

SILVER, DM .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) :311-325

[6] EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].

CLARK, T ;

CHANDRASEKHAR, J ;

SPITZNAGEL, GW ;

SCHLEYER, PV .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301

[7]

CLARK T, 1985, HDB COMPUTATIONAL CH, P98

[8] STATE-TO-STATE DIFFERENTIAL CROSS-SECTIONS FROM SEMICLASSICAL ENERGY CONSERVING TRAJECTORY CALCULATIONS - H2+(V) + H2(O)-]H2(V'') + H2+(V') [J].

COLE, SK ;

DEPRISTO, AE .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (03) :1389-1395

[9] AB-INITIO AND SEMIEMPIRICAL SCF-MO COMPUTATIONS FOR N+4 - COMPARISON OF SPIN UNRESTRICTED AND SPIN RESTRICTED METHODS [J].

CONWAY, DC .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (05) :2219-2222

[10] ELECTRONIC-STRUCTURE OF THE N4+ MOLECULAR ION [J].

DECASTRO, SC ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (01) :550-558

← 1 2 3 4 5 →