Vibrational spectra and normal coordinate analysis of 4-(dimethylamino)benzaldehyde and selected isotopic derivatives

Gary P. Kushto; Paul W. Jagodzinski

doi:10.1016/S1386-1425(97)00279-5

Vibrational spectra and normal coordinate analysis of 4-(dimethylamino)benzaldehyde and selected isotopic derivatives

Gary P. Kushto
, Paul W. Jagodzinski

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Abstract

Results of a normal coordinate analysis based on infrared and Raman spectra of six isotopic forms of 4-(dimethylamino)benzaldehyde are reported (DABA, DABA-CDO, DABA-¹³CDO, DABA-¹³CHO, DABA-CH¹⁸O, and DABA-3,5-D). C_s point group symmetry has been applied and all motions except the internal rotations of the dimethylamino and the two methyl groups have been used to generate symmetry coordinates. The potential energy distributions have lead to revision and extension of previous assignments. The force field and the forms of the normal modes are in excellent agreement with those reported for similar molecules.

Original language	English (US)
Pages (from-to)	799-819
Number of pages	21
Journal	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume	54
Issue number	6
DOIs	https://doi.org/10.1016/S1386-1425(97)00279-5
State	Published - Jun 1998
Externally published	Yes

Keywords

4-(Dimethylamino)benzaldehyde
Infrared spectra
Normal mode analysis
Raman spectra
Vibrational spectra

ASJC Scopus subject areas

Analytical Chemistry
Atomic and Molecular Physics, and Optics
Instrumentation
Spectroscopy

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10.1016/S1386-1425(97)00279-5

Cite this

@article{d7b8600f273b4e42b3b7a20086b0feb0,

title = "Vibrational spectra and normal coordinate analysis of 4-(dimethylamino)benzaldehyde and selected isotopic derivatives",

abstract = "Results of a normal coordinate analysis based on infrared and Raman spectra of six isotopic forms of 4-(dimethylamino)benzaldehyde are reported (DABA, DABA-CDO, DABA-13CDO, DABA-13CHO, DABA-CH18O, and DABA-3,5-D). Cs point group symmetry has been applied and all motions except the internal rotations of the dimethylamino and the two methyl groups have been used to generate symmetry coordinates. The potential energy distributions have lead to revision and extension of previous assignments. The force field and the forms of the normal modes are in excellent agreement with those reported for similar molecules.",

keywords = "4-(Dimethylamino)benzaldehyde, Infrared spectra, Normal mode analysis, Raman spectra, Vibrational spectra",

author = "Kushto, \{Gary P.\} and Jagodzinski, \{Paul W.\}",

note = "Funding Information: The authors acknowledge the contribution of Robert Callender, Department of Biochemistry, Albert Einstein College of Medicine, Bronx, NY for access to unpublished data for the isotopic forms of DABA. This work was partially supported by funds from the National Institutes of Health to R. Callender (GM35183). ",

year = "1998",

month = jun,

doi = "10.1016/S1386-1425(97)00279-5",

language = "English (US)",

volume = "54",

pages = "799--819",

journal = "Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy",

issn = "1386-1425",

publisher = "Elsevier B.V.",

number = "6",

}

TY - JOUR

T1 - Vibrational spectra and normal coordinate analysis of 4-(dimethylamino)benzaldehyde and selected isotopic derivatives

AU - Kushto, Gary P.

AU - Jagodzinski, Paul W.

N1 - Funding Information: The authors acknowledge the contribution of Robert Callender, Department of Biochemistry, Albert Einstein College of Medicine, Bronx, NY for access to unpublished data for the isotopic forms of DABA. This work was partially supported by funds from the National Institutes of Health to R. Callender (GM35183).

PY - 1998/6

Y1 - 1998/6

N2 - Results of a normal coordinate analysis based on infrared and Raman spectra of six isotopic forms of 4-(dimethylamino)benzaldehyde are reported (DABA, DABA-CDO, DABA-13CDO, DABA-13CHO, DABA-CH18O, and DABA-3,5-D). Cs point group symmetry has been applied and all motions except the internal rotations of the dimethylamino and the two methyl groups have been used to generate symmetry coordinates. The potential energy distributions have lead to revision and extension of previous assignments. The force field and the forms of the normal modes are in excellent agreement with those reported for similar molecules.

AB - Results of a normal coordinate analysis based on infrared and Raman spectra of six isotopic forms of 4-(dimethylamino)benzaldehyde are reported (DABA, DABA-CDO, DABA-13CDO, DABA-13CHO, DABA-CH18O, and DABA-3,5-D). Cs point group symmetry has been applied and all motions except the internal rotations of the dimethylamino and the two methyl groups have been used to generate symmetry coordinates. The potential energy distributions have lead to revision and extension of previous assignments. The force field and the forms of the normal modes are in excellent agreement with those reported for similar molecules.

KW - 4-(Dimethylamino)benzaldehyde

KW - Infrared spectra

KW - Normal mode analysis

KW - Raman spectra

KW - Vibrational spectra

UR - https://www.scopus.com/pages/publications/0032086596

UR - https://www.scopus.com/pages/publications/0032086596#tab=citedBy

U2 - 10.1016/S1386-1425(97)00279-5

DO - 10.1016/S1386-1425(97)00279-5

M3 - Article

C2 - 9666574

AN - SCOPUS:0032086596

SN - 1386-1425

VL - 54

SP - 799

EP - 819

JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

IS - 6

ER -

Vibrational spectra and normal coordinate analysis of 4-(dimethylamino)benzaldehyde and selected isotopic derivatives

Abstract

Keywords

ASJC Scopus subject areas

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