NH3 O - NH2 OH

Salimian et al. (1983) shock heated NH3/N2 0/Ar mixtures in the temperature range 1750-2060 K and monitored NH3 and N2O by infrared emission and OH by laser absorption spectroscopy at 306.5 nm. At early times the chemistry of the NH3/N2 0/Ar system is dominated by the simple mechanism  

Using an accepted value for k2, the authors were able to fit NH3 and OH signals to extract values for and k  

Extrapolation of this Arrhenius expression for k provides reasonable agreement with available data above 500 K [see Baulch et al. (1973)] but 

Our recommendation for this rate constant (see Table 12 and Fig. 12) is the expression reported by Salimian et al (1983). Recommended uncertainty factors for the temperature range 1000-2100 K are / = 0.5 and F — 2. 

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All three levels correctly calculate the decreasing dipole moment trend in the NH3, CH3 NH2, (CH3 )2 NH and H2 O, CH3 OH, (CH3 )2 O series. Similarly, the increase in going from HCHO to CH3CHO is handled adequately by all three methods. The dipole moments of propane, propene, and propyne are of interest since these molecules are the simplest stable polar hydrocarbons. The extended basis sets handle the dipole moments in these molecules somewhat more successfully than does STO-3G. The dipole moment in cyclopropene is calculated to have its negative end on the methylene group. From studies of the g values of cyclopropene and its 1,2-dideuterio derivative, Benson and Flygare31 have found the opposite result. However, it should be noted that the experimental error... 

If one or more of the hydrogen atoms of a non-metal hydride are replaced formally with another group, R—e.g., alkyl residues—then derived compounds of the type R-XHn-i, R-XHn-2-R, etc., are obtained. In this way, alcohols (R-OH) and ethers (R-O-R) are derived from water (H2O) primary amines (R-NH2), secondary amines (R-NH-R) and tertiary amines (R-N-R R") amines are obtained from ammonia (NH3) and thiols (R-SH) and thioethers (R-S-R ) arise from hydrogen sulfide (H2S). Polar groups such as -OH and -NH2 are found as substituents in many organic compounds. As such groups are much more reactive than the hydrocarbon structures to which they are attached, they are referred to as functional groups. 

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