Microsolvation of the ammonium ion in argon:: infrared spectra of NH4+-Arn complexes (n = 1-7)

被引:56
作者
Dopfer, O [1 ]
Nizkorodov, SA [1 ]
Meuwly, M [1 ]
Bieske, EJ [1 ]
Maier, JP [1 ]
机构
[1] Univ Basel, Inst Phys Chem, CH-4056 Basel, Switzerland
关键词
ab initio studies; ionic complexes; NH4+-Ar-n; infrared photodissociation spectroscopy; solvation;
D O I
10.1016/S0168-1176(97)00111-0
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Infrared spectra of mass selected NH4+-Ar-n (n = 1-7) cluster ions have been recorded in the range between 3000 and 3500 cm(-1) by means of photodissociation spectroscopy. Vibrational assignments are based on ab initio calculations by taking into account complexation-induced frequency shifts and splittings as well as band intensities. The results indicate that the first four Ar atoms occupy equivalent vertex-bound sites, while further Ar atoms are probably located at the faces of the tetrahedral monomer. (C) 1997 Elsevier Science B.V. (C) 1997 Elsevier Science B.V.
引用
收藏
页码:637 / 647
页数:11
相关论文
共 40 条
[31]   VELOCITY MODULATION INFRARED-LASER SPECTROSCOPY OF MOLECULAR-IONS - THE NU-4-BAND OF AMMONIUM [J].
POLAK, M ;
GRUEBELE, M ;
DEKOCK, BW ;
SAYKALLY, RJ .
MOLECULAR PHYSICS, 1989, 66 (06) :1193-1202
[32]   OBSERVATION OF INTERNAL-ROTATION IN THE NH+4(NH3)4 IONIC CLUSTER [J].
PRICE, JM ;
CROFTON, MW ;
LEE, YT .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (04) :2749-2751
[33]   VIBRATIONAL SPECTROSCOPY OF THE AMMONIATED AMMONIUM-IONS NH4+(NH3)N(N = 1-10) [J].
PRICE, JM ;
CROFTON, MW ;
LEE, YT .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (06) :2182-2195
[34]   MP2/6-311++G(D,P) STUDY OF 10 IONIC HYDROGEN-BONDED BINARY-SYSTEMS - STRUCTURES, NORMAL-MODES, THERMODYNAMICS, AND COUNTERPOISE ENERGIES [J].
PUDZIANOWSKI, AT .
JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (20) :8029-8039
[35]   THE NU-3 VIBRATIONAL-SPECTRUM OF THE FREE AMMONIUM ION (NH4+) [J].
SCHAFER, E ;
BEGEMANN, MH ;
GUDEMAN, CS ;
SAYKALLY, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (06) :3159-3160
[36]   A HIGH-RESOLUTION STUDY OF THE NU-3-BAND OF THE AMMONIUM ION (NH4+) BY VELOCITY MODULATION LASER-ABSORPTION SPECTROSCOPY [J].
SCHAFER, E ;
SAYKALLY, RJ ;
ROBIETTE, AG .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (09) :3969-3977
[37]   GAS-PHASE INFRARED-SPECTRA OF AMMONIATED AMMONIUM-IONS [J].
SCHWARZ, HA .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :284-287
[38]   A SYSTEMATIC THEORETICAL-STUDY OF HARMONIC VIBRATIONAL FREQUENCIES - THE AMMONIUM ION NH-4(+) AND OTHER SIMPLE MOLECULES [J].
YAMAGUCHI, Y ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (05) :2310-2318
[39]   SPECTROSCOPY OF WEAKLY-BOUND MAGNESIUM-ION COMPLEXES [J].
YEH, CS ;
PILGRIM, JS ;
WILLEY, KF ;
ROBBINS, DL ;
DUNCAN, MA .
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 1994, 13 (02) :231-262
[40]  
1996, EXTENSIBLE COMPUTATI