Reactions of laser-ablated aluminum atoms with nitrogen atoms and molecules, infrared spectra and density functional calculations for the AlN2, Al2N, Al2N2, AlN3, and Al3N molecules

被引:70
作者
Andrews, L
Zhou, MF
Chertihin, GV
Bare, WD
Hannachi, Y
机构
[1] Univ Virginia, Dept Chem, Charlottesville, VA 22901 USA
[2] Univ Bordeaux 1, CNRS, UMR 3805, Lab Physicochim Mol, F-33405 Talence, France
[3] Fudan Univ, Laser Chem Inst, Shanghai 200433, Peoples R China
关键词
D O I
10.1021/jp993517+
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
Laser-ablated aluminum atoms react with dinitrogen on condensation at 10 K to form N-3 radical and the subject molecules, which are identified by nitrogen isotopic substitution, further reactions on annealing, and comparison with isotopic frequencies computed by density functional theory. The major AlN3 product is identified from three fundamentals and a statistically mixed nitrogen isotopic octet pattern. The aluminum rich Al2N and AL(3)N species are major products on annealing to allow diffusion and further reaction of trapped species. This work provides the first experimental evidence for molecular AlxNy species that may be involved in ceramic film growth.
引用
收藏
页码:1656 / 1661
页数:6
相关论文
共 30 条
[1]   REACTIONS OF PULSED LASER-PRODUCED BORON AND NITROGEN-ATOMS IN A CONDENSING ARGON STREAM [J].
ANDREWS, L ;
HASSANZADEH, P ;
BURKHOLDER, TR ;
MARTIN, JML .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (02) :922-931
[2]   Matrix infrared spectra and density functional calculations of three Al, N, O isomers [J].
Andrews, L ;
Zhou, MF ;
Bare, WD .
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (26) :5019-5026
[3]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[4]   Ab initio investigation of structures and energies of low-lying electronic states of AlN3, Al3N, and Al2N2 [J].
Boo, BH ;
Liu, ZY .
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (09) :1250-1254
[5]   LASER SPECTROSCOPY OF CALCIUM AND STRONTIUM MONOAZIDE FREE-RADICALS [J].
BRAZIER, CR ;
BERNATH, PF .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (04) :2112-2116
[6]   REACTIONS OF BORON ATOMS WITH MOLECULAR-OXYGEN - INFRARED-SPECTRA OF BO, BO2, B2O2, B2O3, AND BO2- IN SOLID ARGON [J].
BURKHOLDER, TR ;
ANDREWS, L .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (12) :8697-8709
[7]   The prediction of vibrational frequencies of inorganic molecules using density functional theory [J].
Bytheway, I ;
Wong, MW .
CHEMICAL PHYSICS LETTERS, 1998, 282 (3-4) :219-226
[8]   ALUMINUM-NITROGEN MULTIPLE BONDS IN SMALL ALNH MOLECULES - STRUCTURES AND VIBRATIONAL FREQUENCIES OF ALNH2, ALNH3, AND ALNH4 [J].
DAVY, RD ;
JAFFREY, KL .
JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (36) :8930-8936
[9]  
Downs A. J, 1993, Chemistry of aluminium, gallium, indium and thallium
[10]  
Frisch M.J., 1995, GAUSSIAN 94 REVISION