Chapter 3 The quest for the equilibrium structure of molecules

作者: Peter Groner

DOI: 10.1016/S0090-1911(99)80008-0

关键词: Infrared spectroscopyChemistryAnalytical chemistryRotational spectroscopyElectron diffractionFourier transformFourier transform infrared spectroscopyMolecular beamResolution (electron density)Computational physicsSpectroscopy

摘要: Publisher Summary This chapter explores that the determination of molecular structures has been one objectives high resolution spectroscopy for a long time. technique, together with gas phase electron diffraction, is only practical method available to study molecules in gaseous state. In state at sufficiently low pressures, are free from interactions other species and can therefore be studied isolated environment. It discusses modern tremendous resolving power precision. Conventional Stark effect modulated microwave typical 1 10 5 precision 6 . A similar achieved by Fourier transform infrared spectroscopy. laser based have close 8 If these spectroscopic methods coupled supersonic beam approaches 7 The also theoretical models fairly rigid molecules. With models, spectra observed such reproduced within experimental Many fitting parameters models—the constants—are obtained Among them rotational constants, which sometimes or more significant digits. reviews techniques used determine data. Principal obtain phase, diffraction discussed.

参考文章(336)
P. Groner, J. R. Durig, D. D. DesMarteau, r0 structure of difluoromethanimine, CF2=NH, from microwave spectra of isotopic species Journal of Chemical Physics. ,vol. 105, pp. 7263- 7267 ,(1996) , 10.1063/1.472600
Matthias Rösslein, Maureen A. Hanratty, John P. Maier, The rs-structure of bromocyanogen cation: BrCN+[Xtilde]2Π Molecular Physics. ,vol. 68, pp. 823- 833 ,(1989) , 10.1080/00268978900102571
Jian Tang, Shuji Saito, Microwave Spectra of the Isotopomers of HCS+ and its Substitution Structure The Astrophysical Journal. ,vol. 451, ,(1995) , 10.1086/309694
Walter Gordy, Robert I. Cook, Microwave molecular spectra ,(1970)
Stephane Bailleux, Marcel Bogey, Jean Demaison, Hans Bürger, Michael Senzlober, Jürgen Breidung, Walter Thiel, Radek Fajgar, Josef Pola, The equilibrium structure of silene H2C=SiH2 from millimeter wave spectra and from ab initio calculations The Journal of Chemical Physics. ,vol. 106, pp. 10016- 10026 ,(1997) , 10.1063/1.473642
Terry A. Miller, V. E. Bondybey, Molecular ions: Spectroscopy, structure, and chemistry ,(1983)
Christopher S. Gudeman, R. Claude Woods, Experimental Detection of HOC + by Microwave Spectroscopy. Physical Review Letters. ,vol. 48, pp. 1344- 1348 ,(1982) , 10.1103/PHYSREVLETT.48.1768.4
Munetaka Nakata, Tsutomu Fukuyama, Kozo Kuchitsu, Harutoshi Takeo, Chi Matsumura, Molecular structure of phosgene as studied by gas electron diffraction and microwave spectroscopy Journal of Molecular Spectroscopy. ,vol. 83, pp. 118- 129 ,(1980) , 10.1016/0022-2852(80)90315-X
P. Groner, J. R. Durig, D. D. DesMarteau, S.-H. Hwang, N-chlorodifluoromethanimine, CF2=NCl: Quadrupole coupling and r0 structure Journal of Chemical Physics. ,vol. 110, pp. 9411- 9417 ,(1999) , 10.1063/1.478905