Infrared-infrared double resonance spectroscopy of the isomers of acetylene-HCN and cyanoacetylene-HCN in Helium nanodroplets

被引:9
作者
Douberly, Gary E. [1 ]
Merritt, Jeremy M. [1 ]
Miller, Roger E. [1 ]
机构
[1] Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA
关键词
D O I
10.1021/jp070015k
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
Infrared-infrared double resonance spectroscopy is used to probe the vibrational dynamics of molecular complexes solvated in helium nanodroplets. We report results for the acetylene-HCN and cyanoacetylene-HCN binary complexes, each having two stable isomers. We find that vibrational excitation of an acetylene-HCN complex results in a population transfer to the other isomer. Photoinduced isomerization is found to be dependent on both the initially excited vibrational mode and the identity of the acetylene-HCN isomer. However, population transfer is not observed for the cyanoacetylene-HCN complexes. The results are rationalized in terms of the ab initio intermolecular potential energy surfaces for the two systems with particular emphasis on the long-range barriers to rearrangement.
引用
收藏
页码:7282 / 7291
页数:10
相关论文
共 64 条
[1]  
Barranco M, 2006, J LOW TEMP PHYS, V142, P1, DOI [10.1007/s10909-005-9267-0, 10.1007/s10702-005-0267-x]
[2]   THE LINEAR AND T-SHAPED ISOMERS OF C2H2-HCN - VIBRATIONAL DYNAMICS FROM INFRARED-SPECTROSCOPY AND ABINITIO THEORY [J].
BLOCK, PA ;
JUCKS, KW ;
PEDERSEN, LG ;
MILLER, RE .
CHEMICAL PHYSICS, 1989, 139 (01) :15-30
[3]   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-&
[4]   DENSITY OF STATES AND EVAPORATION RATE OF HELIUM CLUSTERS [J].
BRINK, DM ;
STRINGARI, S .
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1990, 15 (03) :257-263
[5]   Infrared spectroscopy of helium nanodroplets: novel methods for physics and chemistry [J].
Choi, M. Y. ;
Douberly, G. E. ;
Falconer, T. M. ;
Lewis, W. K. ;
Lindsay, C. M. ;
Merritt, J. M. ;
Stiles, P. L. ;
Miller, R. E. .
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 2006, 25 (1-2) :15-75
[6]   Laser-initiated shuttling of a water molecule between H-bonding sites [J].
Clarkson, JR ;
Baquero, E ;
Shubert, VA ;
Myshakin, EM ;
Jordan, KD ;
Zwier, TS .
SCIENCE, 2005, 307 (5714) :1443-1446
[7]   Methanol-acetonitrile complexes trapped in argon and nitrogen matrices:: Infrared induced isomerization and theoretical calculations [J].
Coussan, S ;
Bouteiller, Y ;
Perchard, JP ;
Brenner, V ;
Millié, P ;
Zheng, WQ ;
Talbot, F .
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (20) :10046-10057
[8]   Infrared laser induced isomerization of methanol polymers trapped in nitrogen matrix .1. Trimers [J].
Coussan, S ;
Loutellier, A ;
Perchard, JP ;
Racine, S ;
Peremans, A ;
Tadjeddine, A ;
Zheng, WQ .
JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (17) :6526-6540
[9]   IR-induced interconversions between five conformers of methanol dimers trapped in nitrogen matrix [J].
Coussan, S ;
Loutellier, A ;
Perchard, JP ;
Racine, S ;
Peremans, A ;
Tadjeddine, A ;
Zheng, WQ .
CHEMICAL PHYSICS, 1997, 223 (2-3) :279-292
[10]   Infrared photoisomerization of the methanol dimer trapped in argon matrix: Monochromatic irradiation experiments and DFT calculations [J].
Coussan, S ;
Bouteiller, Y ;
Loutellier, A ;
Perchard, JP ;
Racine, S ;
Peremans, A ;
Zheng, WQ ;
Tadjeddine, A .
CHEMICAL PHYSICS, 1997, 219 (2-3) :221-234