Christopher L. Brummel, Meihua Shen, Kevin B. Hewett, and Laura A. Philips, "High-resolution infrared spectroscopy of formamide and deuterated formamide in a molecular beam," J. Opt. Soc. Am. B 11, 176-183 (1994)
High-resolution infrared spectra of formamide and deuterated formamide (DCONH2) were collected by molecular-beam optothermal spectroscopy. The spectrum of formamide was found to be perturbed such that each rotational transition was split into two peaks. The splitting was absent in the spectrum of deuterated formamide. The large splitting in the spectrum of formamide (~0.7 cm−1) prevented an accurate deconvolution of the spectrum into zeroth-order bright and dark states. A list of the possible coupling modes is presented. The coupling, however, is not well represented as a simple coupling of two rigid rotors.
Jun Gang, Mark Pennington, Douglas K. Russell, Francisco J. Basterrechea, Paul B. Davies, and Graeme M. Hansford J. Opt. Soc. Am. B 11(1) 184-190 (1994)
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The ground-state constants are taken from Ref. 4. The excited-state rotational constants are those obtained by treating the spectrum as two overlapping transitions. All values are in inverse centimeters.
Table 5
Rotational Constants for the Deuterated Formamidea
Parameters
Ground State
Excited State
A
1.832858
1.8234(22)
B
0.3793601
0.36627(46)
C
0.314204
0.32166(46)
Rms deviation
0.0048
The ground-state values are taken from Ref. 4. All values are in inverse centimeters.
Table 6
Quantum-Number Assignment for Deuterated Formamide and the Deviations from the Fit for 23 Peaksa
Each normal mode is enclosed in parentheses. The list of atoms inside the parentheses describes the vibration. The number before the parentheses indicates the number of quanta in that normal mode. All possible modes are included, but the most probable modes, based on geometric arguments, are the first five modes. The notation refers to various vibrational modes as follows: ν, stretching; θ, bending; r, rocking; τ, torsion; w, out-of-plane wag.
From Ref. 16. The assignments are also from Ref. 16 for all modes except the NH2 torsion and inversion. ν, stretching; d, bending; r, rocking; τ, torsion; w, out-of-plane wag.
The ground-state constants are taken from Ref. 4. The excited-state rotational constants are those obtained by treating the spectrum as two overlapping transitions. All values are in inverse centimeters.
Table 5
Rotational Constants for the Deuterated Formamidea
Parameters
Ground State
Excited State
A
1.832858
1.8234(22)
B
0.3793601
0.36627(46)
C
0.314204
0.32166(46)
Rms deviation
0.0048
The ground-state values are taken from Ref. 4. All values are in inverse centimeters.
Table 6
Quantum-Number Assignment for Deuterated Formamide and the Deviations from the Fit for 23 Peaksa
Each normal mode is enclosed in parentheses. The list of atoms inside the parentheses describes the vibration. The number before the parentheses indicates the number of quanta in that normal mode. All possible modes are included, but the most probable modes, based on geometric arguments, are the first five modes. The notation refers to various vibrational modes as follows: ν, stretching; θ, bending; r, rocking; τ, torsion; w, out-of-plane wag.
From Ref. 16. The assignments are also from Ref. 16 for all modes except the NH2 torsion and inversion. ν, stretching; d, bending; r, rocking; τ, torsion; w, out-of-plane wag.
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stretching + C–H bending
stretching
bending
bending + N–H2 rocking