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Microwave Determination of the Structure of Pyridine

Abstract

2‐, 3‐, and 4‐mono‐deutero‐pyridine have been prepared and the microwave spectra recorded. For each of the isotopic species 11—12 transitions (Q‐ and R‐branch lines) were localized, a number of which could be identified by their Stark effect. For all three species rotational constants of high precision were calculated. The material so provided in connection with known rotational constants for ordinary pyridine is insufficient for a complete determination of the ten geometrical parameters of the molecule. Seven models with a choice of C – H distances close to the correct value (1.075‐1.085 A) were considered one of which was shown to be consistent with electron‐diffraction work and current valence theory. In this model d(N – C(2)) = 1.340±0.005; d(C(2) – C(3)) = 1.390±0.005; d(C(3) – C(4)) = 1.400±0.005 A. The valence angles in the aromatic ring (starting with the C(6) – N – C(2) angle) are: 116° 42′; 124° 00′; 118° 36′; 118° 06′.
Authors:
Bak, B.; Hansen, L.; Rastrup-Andersen, J. [1] 
  1. Chemical Laboratory of the University of Copenhagen, Copenhagen (Denmark)
Publication Date:
Dec 15, 1954
Product Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 22; Journal Issue: 12; Other Information: (c) 1954 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA)
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CHEMICAL PREPARATION; COMPUTER CALCULATIONS; MICROWAVE RADIATION; MICROWAVE SPECTRA; PYRIDINE; STARK EFFECT
OSTI ID:
22685117
Country of Origin:
United States
Language:
English
Other Identifying Numbers:
Journal ID: ISSN 0021-9606; CODEN: JCPSA6; TRN: US17B4825033928
Submitting Site:
USN
Size:
page(s) 2013-2017
Announcement Date:
May 11, 2018

Citation Formats

Bak, B., Hansen, L., and Rastrup-Andersen, J. Microwave Determination of the Structure of Pyridine. United States: N. p., 1954. Web. doi:10.1063/1.1739983.
Bak, B., Hansen, L., & Rastrup-Andersen, J. Microwave Determination of the Structure of Pyridine. United States. https://doi.org/10.1063/1.1739983
Bak, B., Hansen, L., and Rastrup-Andersen, J. 1954. "Microwave Determination of the Structure of Pyridine." United States. https://doi.org/10.1063/1.1739983.
@misc{etde_22685117,
title = {Microwave Determination of the Structure of Pyridine}
author = {Bak, B., Hansen, L., and Rastrup-Andersen, J.}
abstractNote = {2‐, 3‐, and 4‐mono‐deutero‐pyridine have been prepared and the microwave spectra recorded. For each of the isotopic species 11—12 transitions (Q‐ and R‐branch lines) were localized, a number of which could be identified by their Stark effect. For all three species rotational constants of high precision were calculated. The material so provided in connection with known rotational constants for ordinary pyridine is insufficient for a complete determination of the ten geometrical parameters of the molecule. Seven models with a choice of C – H distances close to the correct value (1.075‐1.085 A) were considered one of which was shown to be consistent with electron‐diffraction work and current valence theory. In this model d(N – C(2)) = 1.340±0.005; d(C(2) – C(3)) = 1.390±0.005; d(C(3) – C(4)) = 1.400±0.005 A. The valence angles in the aromatic ring (starting with the C(6) – N – C(2) angle) are: 116° 42′; 124° 00′; 118° 36′; 118° 06′.}
doi = {10.1063/1.1739983}
journal = []
issue = {12}
volume = {22}
journal type = {AC}
place = {United States}
year = {1954}
month = {Dec}
}