Complexation of formaldoxime and acetaldoxime with nitrogen

Golec, Barbara; Grzegorzek, Joanna; Mielke, Zofia

doi:10.1016/j.chemphys.2008.07.020

Cited by 16 publications

(5 citation statements)

References 35 publications

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“…Slight warming of the solid matrix also enables the diffusion controlled generation of larger molecular clusters. 7,8 More recently, the matrix isolation (MI) technique has also been successfully combined with vibrational circular dichroism (VCD) spectroscopy. 9 VCD spectroscopy measures the differential absorbance of left-and right-circular polarized light during vibrational transitions of chiral molecules.…”

Section: Introductionmentioning

confidence: 99%

Conformational distortion of α-phenylethyl amine in cryogenic matrices – a matrix isolation VCD study

Pollok

Merten

2016

Phys. Chem. Chem. Phys.

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The chiral amine α-phenylethyl amine (PEA) was isolated in cryogenic matrices and investigated using vibrational circular dichroism (VCD) and infrared spectroscopy. The potential energy surface (PES) of PEA features five different conformers connected by relatively low conformational transition states. Based on the IR spectra, it could be confirmed that all conformational energy barriers are passed at a deposition temperature of 20 K, and that only the global minimum conformation of PEA is populated in both argon and nitrogen matrices. However, differences in the calculated and experimental VCD spectra indicate deviations from the minimum structure by perturbation of the phenyl ring as well as of the amine orientation. The degree of the perturbation is found to also depend on the choice of the host gas, which shows the subtle influence of the environment on the conformational distortion of PEA.

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Section: Introductionmentioning

confidence: 99%

Conformational distortion of α-phenylethyl amine in cryogenic matrices – a matrix isolation VCD study

Pollok

Merten

2016

Phys. Chem. Chem. Phys.

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“…61 Authors have noticed that the (Z)-acetaldoxime isomer shows stronger bonding ability to nitrogen than the (E)-isomer, which suggests that the OH group of (Z)-isomer is more acidic than that of (E)-isomer. …”

Section: Rearrangement To Acetamidementioning

confidence: 99%

Acetaldoxime

Kimpe¹,

Platonov²,

Nikonov³

2010

Encyclopedia of Reagents for Organic Synthesis

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“…Such interaction leads to considerable changes in vibrational spectra of the complexed subunits, as demonstrated, for example, for nitrogen complexes isolated in low temperature matrices. For molecules with proton donor groups a weak traditional hydrogen bond of AH• • • N type (A=O, N, F, Cl, and others) is the most often encountered specific interaction [4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22]. Examples of the blue shifted hydrogen bonds can also be found in the literature, for instance, for the N 2 complexes with N,N-dimethylformamide [23], chloroform [24] and difluoromethane [25].…”

Section: Introductionmentioning

confidence: 98%

Matrix Isolation FTIR and Theoretical Study of Weakly Bound Complexes of Isocyanic Acid with Nitrogen

2022

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Weak complexes of isocyanic acid (HNCO) with nitrogen were studied computationally employing MP2, B2PLYPD3 and B3LYPD3 methods and experimentally by FTIR matrix isolation technique. The results show that HNCO interacts specifically with N2. For the 1:1 stoichiometry, three stable minima were located on the potential energy surface. The most stable of them involves a weak, almost linear hydrogen bond from the NH group of the acid molecule to nitrogen molecule lone pair. Two other structures are bound by van der Waals interactions of N⋯N and C⋯N types. The 1:2 and 2:1 HNCO complexes with nitrogen were computationally tracked as well. Similar types of interactions as in the 1:1 complexes were found in the case of the higher stoichiometry complexes. Analysis of the HNCO/N2/Ar spectra after deposition indicates that the 1:1 hydrogen-bonded complex is prevalent in argon matrices with a small amount of the van der Waals structures also present. Upon annealing, complexes of the 1:2 and 2:1 stoichiometry were detected as well.

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Complexation of formaldoxime and acetaldoxime with nitrogen

Cited by 16 publications

References 35 publications

Conformational distortion of α-phenylethyl amine in cryogenic matrices – a matrix isolation VCD study

Conformational distortion of α-phenylethyl amine in cryogenic matrices – a matrix isolation VCD study

Acetaldoxime

Matrix Isolation FTIR and Theoretical Study of Weakly Bound Complexes of Isocyanic Acid with Nitrogen

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