The microwave spectrum, harmonic force field, and structure of formyl chloride☆
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Cited by (39)
Ab initio MRD-CI study of excited states of formyl chloride HClCO and photofragmentation along Cl-C cleavage
2008, Chemical PhysicsCitation Excerpt :The calculated equilibrium geometry of formyl chloride we used for our computations of excited states is shown in Fig. 1. This equilibrium geometry is in reasonable agreement with both, prior experimental work of Davis and Gerry [47] as well as theoretically determined values [20,51]. The deviations of the bond lengths and bond angles are less than 0.01 Å and 0.2° respectively.
Ab initio anharmonic force field and ab initio and experimental equilibrium structures of formyl chloride
2004, Journal of Molecular StructureApproximate r<inf>e</inf> structures from experimental rotational constants and ab initio force fields
2001, Journal of Molecular StructureCitation Excerpt :Davis et al. [29] have derived an rz structure for formyl chloride, HCOCl, and used it with the Kuchitsu approximation to estimate the re structure. Our results for the rz and re structures of formyl chloride (using the ground state rotational constants from Ref. [29]) are also shown in Table 2 together with the results of Davis et al. [29]. For both types of structures, the distances agree within 0.002 Å or better, the angles within 0.35°.
Chapter 3 The quest for the equilibrium structure of molecules
1999, Vibrational Spectra and StructureThe millimeter-wave spectrum and structure of vinyl chloride
1996, Journal of Molecular SpectroscopyGas phase structures of trifluoroacetyl chloride, CF<inf>3</inf>C(O)Cl, and chlorodifluoroacetyl chloride, CF<inf>2</inf>ClC(O)Cl
1996, Journal of Molecular Structure
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Work supported by the Natural Sciences and Engineering Research Council of Canada.
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Present address: Department of Chemistry, Memorial University of Newfoundland, St. John's, Newfoundland A1B 3X7, Canada.