Journal Article10.1016/0166-1280(91)89018-V
Ab initio studies of bonding trends: Part 9. The dicyanamide-carbon suboxide-dicyanoether-cyanogen azide isoelectronic series ABCDE1
Pekka Pyykkö,Nino Runeberg +1 more
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TL;DR: In this article, the isoelectronic analogs of the title molecules are screened for possible unknown species using ab initio HF or MP2 6-31G ∗ calculations.
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Abstract: The isoelectronic analogs of the title molecules are screened for possible unknown species using ab initio HF or MP2 6-31G ∗ calculations. Some candidates are the bent cations OCNCO + and OCPCO + , the linear anions OBCBO 2− and OBNBO − , and the bent NBNBN 3− and NBOBN 2− . The known NC-NNN is predicted to have a CN 4 ( D 2d ) di(diazirine) isomer, only 2.7 eV above the cyanogen azide at HF level. The analogous BN 4 − is also found to have a local minimum. The predicted neutral species include the linear OCNBO and ONNBN and the bent OCPCN, rather resembling the experimentally known NCPCN − anion.
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Polynitrogen compounds 1. Structure and stability of N4 and N5 systems
TL;DR: In this article, the authors summarized the results concerning the molecular and electronic structure and thermodynamic stability of polynitrogen compounds Nn, with n ranging from 4 to 60, as revealed by quantum chemical calculations published in the past 30 years, and where available, by experimental observations.
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Recent Advances in the Chemistry of N5+, N5− and High-Oxygen Compounds
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Carbodicarbenes and Related Divalent Carbon(0) Compounds
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All-nitrogen chemistry: how far are we from N60?
TL;DR: A review of stable all-nitrogen molecules and ions can be found in this article, where the authors review the work that has been done recently in this area in both experiment and theory.
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TL;DR: A review of the current status of experimental and theoretical studies in the chemistry of polynitrogen compounds can be found in this paper, where the authors give a brief review of their work.
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References
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Microwave and Infrared Spectra of Sulfur Dicyanide: Molecular Structure, Dipole Moment, Quadrupole Coupling Constants, Centrifugal Distortion Constants, and Vibrational Assignment
TL;DR: In this article, the microwave spectra of S(CN)2, SC13CN2 and SC2N15N were studied in the frequency region 8 to 30 Gc/sec.
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