| タイトル | Microwave spectrum and structure of bicyclo /1.1.1/ pentanone and comparison with several theoretical structures |
| 著者（英） | Dougherty, Dennis A.; Mcrae, Glenn A.; Sponsler, Michael B.; Cohen, Edward A. |
| 著者所属（英） | Jet Propulsion Lab., California Inst. of Tech.|California Inst. of Tech. |
| 発行日 | 1986-01-01 |
| 言語 | eng |
| 内容記述 | The microwave spectra of five isotopic species of bicyclo (1.1.1) pentanone have been investigated. The rotational constants along with various centrifugal distortion constants for each species have been determined. From the rotational constants, a complete r(s) structure has been determined for the heavy atoms. Analysis of Stark effect measurements has shown the dipole moment to be along the a principal inertial axis with a magnitude of 3.164 (5) D. These results are compared with those obtained by four current theoretical methods: molecular mechanics (MM2), MNDO, and Hartree-Fock ab initio theory with STO-3G and 3-21G basis sets. |
| NASA分類 | CHEMISTRY AND MATERIALS (GENERAL) |
| レポートNO | 87A32089 |
| 権利 | Copyright |
| URI | https://repository.exst.jaxa.jp/dspace/handle/a-is/378844 |
