AL'TERNATIVNYY ZAPRET V KOLEBATEL'NYH SPEKTRAH KRISTALLICHESKOGO 1,2-DI-(1-NAFTIL)ETANA I KONFORMACIYA MOLEKUL
Authors:
1.
KNITU
2.
K(P)FU
3.
KNITU A.N.Tupoleva-KAI
Type:
Article
eLocation:
Status:
Published
Received:
20.04.2023
Accepted:
01.08.2025
Published:
01.08.2025
Subject area:
UDC 535.34
Language:
Russian
Keywords:
кристаллический 1,2-ди-(1-нафтил)этан, конформация молекул, колебательные спектры, альтернативный запрет, crystal bis-1,2-(1-naphthyl)ethane, molecular conformation, vibrational spectroscopy, prohibitory low in vibrational spectra
Abstract (English):
FT-IR and Raman spectra of bis-1,2-(1-naphthyl)ethane (DNE) in crystalline state have been investigated. The existence of the alternative prohibition in vibrational spectra has been observed. This indicates that the conformation of DNE in crystalline state has a center of symmetry. Taking into account both vibrational spectra and ab initio calculation it was shown that the trans-conformation is in the crystalline state (the dihedral angle C(sp 2) - C (sp 3)-C(sp 3)-C(sp 2) equals 180 0). The planes of naphthyl fragments are perpendicular to C (sp 3)-C(sp 3)-C(sp 2) planes.
FT-IR and Raman spectra of bis-1,2-(1-naphthyl)ethane (DNE) in crystalline state have been investigated. The existence of the alternative prohibition in vibrational spectra has been observed. This indicates that the conformation of DNE in crystalline state has a center of symmetry. Taking into account both vibrational spectra and ab initio calculation it was shown that the trans-conformation is in the crystalline state (the dihedral angle C(sp 2) - C (sp 3)-C(sp 3)-C(sp 2) equals 180 0). The planes of naphthyl fragments are perpendicular to C (sp 3)-C(sp 3)-C(sp 2) planes.
Keywords:
кристаллический 1,2-ди-(1-нафтил)этан, конформация молекул, колебательные спектры, альтернативный запрет, crystal bis-1,2-(1-naphthyl)ethane, molecular conformation, vibrational spectroscopy, prohibitory low in vibrational spectra
кристаллический 1,2-ди-(1-нафтил)этан, конформация молекул, колебательные спектры, альтернативный запрет, crystal bis-1,2-(1-naphthyl)ethane, molecular conformation, vibrational spectroscopy, prohibitory low in vibrational spectra
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