The rovibrational overtone spectrum of H13CNO up to 3600 cm-1:: A network of resonance systems

被引:13
作者
Albert, S
Albert, KK
Winnewisser, M
Winnewisser, BP
机构
[1] Univ Giessen, Inst Phys Chem, D-35392 Giessen, Germany
[2] Ohio No Univ, Dept Phys, Ada, OH 45810 USA
来源
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 1998年 / 102卷 / 10期
关键词
light; absorption; molecular dynamics; molecular interactions; quantum mechanics; spectroscopy; infrared;
D O I
10.1002/bbpc.199800012
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
The infrared spectrum of fulminic acid, (HCNO)-C-13, has been analyzed in the range 700-3600 cm(-1). More than 90 new vibrational levels have been identified. Power series coefficients of these levels are given. Every vibrational level and its rotational levels are locally or globally perturbed. It was possible to classify most of the interactions into a grand network of Coriolis- and/or Fermi-type resonance systems, similar to that described for the parent species (HCNO)-C-12, by using the previously known basic resonance systems 00010/00002 and 00100/00004. In addition, as for (HCNO)-C-12, another basic resonance for (HCNO)-C-13 was identified as 01000/00111, leading to the system 00015/01000/00103/(00111), corresponding to a resonance involving the same states in the parent species. As a consequence of the interactions, many so-called "resonance-enbanced" rovibrational subbands have been assigned. The identification and partial analysis of the resonance systems have been carried out, first with the help of different representations of reduced term values and second, by determining the J-value separation between e and f crossing points. The five main resonance systems will be discussed in this paper.
引用
收藏
页码:1428 / 1448
页数:21
相关论文
共 24 条
[11]   An ab initio study on the equilibrium structure and HCN bending potential energy function of fulminic acid [J].
Koput, J ;
Winnewisser, BP ;
Winnewisser, M .
CHEMICAL PHYSICS LETTERS, 1996, 255 (4-6) :357-362
[12]  
MAKI AG, 1991, NIST SPECIAL PUBLICA, V821, P53409
[13]   THE FT-IR SPECTRUM OF (HCNO)-N-15 - THE NU(1)-BAND, NU(2)-BAND, 2-NU(3)-BAND, AND NU(2)+NU(3)-BAND SYSTEMS [J].
QUAPP, W ;
ALBERT, S ;
WINNEWISSER, BP ;
WINNEWISSER, M .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1993, 160 (02) :540-553
[14]  
STROH F, 1991, THESIS J LIEBIG U GI
[15]   THE EFFECTS OF A STRONG CORIOLIS RESONANCE ON ROVIBRATIONAL LINE-INTENSITIES OF (HCNO)-C-13 [J].
WAGNER, G ;
WINNEWISSER, BP ;
WINNEWISSER, M .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1991, 146 (01) :104-119
[16]   THE INFRARED-SPECTRUM OF (HCNO)-N-15 IN THE RANGE 170-1300-CM(-1) [J].
WAGNER, G ;
WINNEWISSER, BP ;
WINNEWISSER, M ;
SARKA, K .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1993, 162 (01) :82-119
[17]  
WAGNER G, 1991, THESIS J LIEBIG U GI
[18]   BENDING-ROTATION SPECTRUM OF FULMINIC ACID AND DEUTEROFULMINIC ACID [J].
WINNEWISSER, BP ;
WINNEWISSER, M ;
WINTHER, F .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1974, 51 (01) :65-96
[19]   HIGH RESOLUTION INFRARED SPECTRUM OF HCNO - ANALYSIS OF BANDS AT 3300 CM-11 [J].
WINNEWISSER, BP .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 40 (01) :164-+
[20]   THE INFRARED-SPECTRUM OF FULMINIC ACID, HCNO, IN THE NU-4 FUNDAMENTAL REGION [J].
WINNEWISSER, BP ;
JENSEN, P .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 101 (02) :408-421