1950
DOI: 10.1107/s0365110x50000744
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Structure cristalline de l'anhydride azotique, N2O5

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Cited by 50 publications
(14 citation statements)
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“…It is not clear, if such complexes actually exist in the gas phase. However, it is known that crystalline N 2 O 5 consists of nitronium and nitrate ions with six N···O contacts of 2.724 Å [28], but its sublimation occurs in form of N 2 O 5 molecules. Volatility of both neutral complexes, Fe(NO 3 ) 3 and Zr(NO 3 ) 4 , is well documented in [10] and [7], respectively.…”
Section: Resultsmentioning
confidence: 99%
“…It is not clear, if such complexes actually exist in the gas phase. However, it is known that crystalline N 2 O 5 consists of nitronium and nitrate ions with six N···O contacts of 2.724 Å [28], but its sublimation occurs in form of N 2 O 5 molecules. Volatility of both neutral complexes, Fe(NO 3 ) 3 and Zr(NO 3 ) 4 , is well documented in [10] and [7], respectively.…”
Section: Resultsmentioning
confidence: 99%
“…34 The nitronium ion is a well-known electrophile in nitration reactions. N 2 O 5 forms an ionic crystal with distinct nitronium and nitrate ions (NO 2 + and NO 3 À ).…”
Section: Introductionmentioning
confidence: 99%
“…NO 2 + , which exhibits a symmetrical linear configuration (O=N + =O), is a main attacking reagent involved in nitrification because it can strongly withdraw electrons …”
Section: Resultsmentioning
confidence: 99%
“…NO 2 + ,w hich exhibits as ymmetricall inear configuration (O=N + =O), is am ain attacking reagenti nvolved in nitrification because it can strongly withdraw electrons. [36] Figure 1s hows the free-energy profiles of the nitration of glyoximew ith NO 2 + as the attacker in the ether solvent model obtained from B3LYP/6-311 ++G** (black solid) and CCSD(T)// B3LYP/6-311 ++G** (pink dashed) calculations.T he computed geometries of all energy minima and transition states are shown in Figure 2. The IRC paths being determined to ensure the accuracyo ft he transition states involved in the reaction and the atomicc oordinates of relevant stationary points are given in the Supporting Information (FigureS4a tions;asaresult, s complexes with nitryl groups and hydrogen ions (H + )a re generated.…”
Section: Computationalmethodsmentioning
confidence: 99%