TY - JOUR
T1 - The Hunt for Elusive Molecules
T2 - Insights from Joint Theoretical and Experimental Investigations
AU - Martin-Drumel, Marie Aline
AU - Baraban, Joshua H.
AU - Changala, P. Bryan
AU - Stanton, John F.
AU - McCarthy, Michael C.
N1 - Funding Information:
We are indebted to a large number of co-workers and collaborators who have been involved in many aspects of the work described here. We are particularly thankful to G. Barney Ellison, Robert W. Field, and Matthew J. Nava for useful discussions. M.C.M. gratefully acknowledges NSF grants AST-1615847, CHE-1566266, and DBI-1555781, and NASA grants NNX13AE59G and 80NSSC18K0396. M.-A.M.-D. acknowledges the support from the Programme National “Physique et Chimie du Milieu Interstellaire” (PCMI) of CNRS/INSU with INC/INP co-funded by CEA and CNES, and from the “Investissements d’Avenir” LabEx PALM (ANR-10-LABX-0039-PALM).
Publisher Copyright:
© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2019/5/28
Y1 - 2019/5/28
N2 - Rotational spectroscopy is an invaluable tool to unambiguously determine the molecular structure of a species, and sometimes even to establish its very existence. This article illustrates how experimental and theoretical state-of-the-art tools can be used in tandem to investigate the rotational structure of molecules, with particular emphasis on those that have long remained elusive. The examples of three emblematic species—gauche-butadiene, disilicon carbide, and germanium dicarbide—highlight the close, mutually beneficial interaction between high-level theoretical calculations and sensitive microwave measurements. Prospects to detect other elusive molecules of chemical and astronomical interest are discussed.
AB - Rotational spectroscopy is an invaluable tool to unambiguously determine the molecular structure of a species, and sometimes even to establish its very existence. This article illustrates how experimental and theoretical state-of-the-art tools can be used in tandem to investigate the rotational structure of molecules, with particular emphasis on those that have long remained elusive. The examples of three emblematic species—gauche-butadiene, disilicon carbide, and germanium dicarbide—highlight the close, mutually beneficial interaction between high-level theoretical calculations and sensitive microwave measurements. Prospects to detect other elusive molecules of chemical and astronomical interest are discussed.
KW - ab initio calculations
KW - gas-phase reactions
KW - quantum chemistry
KW - rotational spectroscopy
KW - structure elucidation
UR - http://www.scopus.com/inward/record.url?scp=85063207205&partnerID=8YFLogxK
U2 - 10.1002/chem.201805986
DO - 10.1002/chem.201805986
M3 - Review article
C2 - 30673130
AN - SCOPUS:85063207205
SN - 0947-6539
VL - 25
SP - 7243
EP - 7258
JO - Chemistry - A European Journal
JF - Chemistry - A European Journal
IS - 30
ER -