Experimental and theoretical studies of the infrared spectra of hydrazines: N sub 2 H sub 4 , N sub 2 H sub 3 D, N sub 2 H sub 2 D sub 2 , N sub 2 HD sub 3 , and N sub 2 D sub 4

Journal Article · Thu Apr 20 04:00:00 EDT 1989 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100345a015· OSTI ID:5063914

Tipton, T; Stone, D A ^[1]; KuBulat, K; Person, W B ^[2]

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1. Air Force Engineering and Services Center, Tyndall AFB, FL (USA)
2. Univ. of Florida, Gainesville (USA)

A study of the vibrational fundamentals of N{sub 2}H{sub 4} and all nine f its deuterated derivatives has been conducted using a combination of ab inito calculations with FT-IR matrix-isolation (N{sub 2}, Ar) methods. The ab inito calculations, made using the 3-21G and 6-31G** bases with the Gaussian 82 program, were instrumental in establishing the experimental assignments. The concentration dependences of N{sub 2}H{sub 4}/Ar and N{sub 2}H{sub 4}/N{sub 2} spectra assisted in resolving much of the uncertainty in previous matrix and vapor-phase vibrational assignments for N{sub 2}H{sub 4}. The ratio of natural abundances of N{sub 2}H{sub 3}D{sub 0} to N{sub 2}H{sub 3}D{sub i} (i.e., the ratio of outer to inner deuterium-substituted species) has been found to be approximately 19:10.

• OSTI ID: 5063914
• Journal Information: Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 93:8; ISSN 0022-3654; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ABSORPTION SPECTROSCOPY
ARGON
DEUTERIUM COMPOUNDS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
FOURIER TRANSFORM SPECTROMETERS
GASES
HYDRAZINE
HYDROGEN COMPOUNDS
INFRARED SPECTRA
MATRIX ISOLATION
MEASURING INSTRUMENTS
NITROGEN
NITROGEN COMPOUNDS
NONMETALS
NORMAL-MODE ANALYSIS
QUANTITY RATIO
RARE GASES
SPECTRA
SPECTROMETERS
SPECTROSCOPY
VIBRATIONAL STATES