High-Resolution Infrared Studies of ν1, 2ν1, and 2ν4 Bands of CH35Cl3

Pietilä, J.; Аланко, С.; Horneman, V.‐M.; Anttila, R.

doi:10.1006/jmsp.2002.8627

Cited by 12 publications

(13 citation statements)

References 19 publications

(34 reference statements)

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“…All the ground state constants were fixed and the values [9-111 are reproduced in table 1. The same constants were used in our previous work [4]. The l(2,2) resonance proved to be very important and also the J-dependent higher-order term was significant.…”

Section: Spectrummentioning

confidence: 88%

“…In all these three bands both J and K structures were resolved. In a recent paper [4] the results for higher bands vl, 2vl and 2v4 were reported. In the C-H stretching band vl (3033 cm-') and in its first overtone 2vl the J structure was well resolved but the K structure appeared only in the shapes of the J components.…”

Section: Introductionmentioning

confidence: 89%

“…With the aid of a Loomis-Wood program [8] it was easy to find different line series. When applying the a : prediction from 2v4 [4] and working carefully such series were obtained which most probably included 'P~(J) lines for different K. The starting of the series with P~K (~) lines was generally detectable except for some of the first series. The region of these lines is presented in figure 3.…”

Section: Spectrummentioning

confidence: 99%

“…Because this data set is unbalanced it was necessary to fix, for example, AC. Both the a$ prediction from [4] and the slightly larger value 1.3 17 x lop5 cm-' from the second-order fit of the P~K (~) lines were used. The fits were not bad, but the trials to extend them to include also R~K lines did not succeed.…”

Section: Spectrummentioning

confidence: 99%

“…In that case the analysis succeeded based on the preliminary results from the diode laser jet spectrum measured in Lille [3]. To start the analysis of the present spectrum, the predicted values especially for the parameters a: , a: and (C{)4 from the overtone [4] formed an essential aid. After the investigation of v4 we have studied all the fundamentals except the lowest one "Author for correspondence.…”

Section: Introductionmentioning

confidence: 98%

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The C–H bending vibration v ₄ of chloroform CH³⁵Cl₃

2004

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The infrared spectrum of the C-H bending vibration band v4 of chloroform around 1220 cm-' has been measured with a Fourier transform spectrometer at an instrumental resolution of 0.0018 cm-I. An isotopically pure sample of C H~~C~~ was used. More than 3000 lines were assigned in the very congested spectrum. In the analysis the ground state rotational constants were fixed. The model included t(2,2)-resonance and altogether 16 free parameters. The fit gave, for example, the molecular parameters vo = 1220.338 03 (5) cm-', aB -0.068 850 (37) x 41 -lop3 cm-', a: = 0.012 37(17) x lop3 cm I , (CT), = 0.056 036 2(18) c m and q4 = 0.177 56 (15) x cm-'.

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Section: Spectrummentioning

confidence: 88%

Section: Introductionmentioning

confidence: 89%

Section: Spectrummentioning

confidence: 99%

Section: Spectrummentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

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The C–H bending vibration v ₄ of chloroform CH³⁵Cl₃

2004

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An Experimental Exploration of C−H⋅⋅⋅X Hydrogen Bond in [CHCl₃−X(CH₃)₂] Complexes (X=O, S, and Se)

Pal,

Charaya,

Chakraborty

2023

ChemPhysChem

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Among the conglomeration of hydrogen bond donors, the C−H group is prevalent in chemistry and biology. In the present work, CHCl3 has been selected as the hydrogen bond donor and are X(CH3)2 are the hydrogen bond acceptors. Formation of C−H⋅⋅⋅X hydrogen bond under the matrix isolation condition is confirmed by the observation of red‐shift in the C−H stretching frequency of CHCl3 and comparison with the simulated spectra. Stabilisation energy of all the three complexes is almost equal although the observed red‐shift for the C−H⋅⋅⋅O complex is less compared to the C−H⋅⋅⋅S/Se complexes. The nature and origin of the hydrogen bond have been delineated using Natural Bond Orbital, Atoms in Molecules, Non‐Covalent Interaction analyses, and Energy Decomposition Analysis. Charge transfer is found to be proportional to the observed red‐shift. This work provides the first impression of C−H⋅⋅⋅Se hydrogen bond and its comparison with C−H⋅⋅⋅O/S hydrogen bond interaction under experimental condition.

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